Supplementary Material
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1 Supplementary material Full characterization data of compounds 23a, 23c, 28 compounds of 24a-c through 44a-c and full X-ray crystallographic data of 25b are available. Supplementary Material Mohammad Jalilzadeh 1, Nader Noroozi Pesyan 1, Fereshteh Rezaee 1 Saeed Rastgar 1, Yaser Hosseini 1 and Ertan Şahin 2 1 Department of Chemistry, Faculty of Science, Urmia University, 57159, Urmia, Iran 2 Department of Chemistry, Faculty of Science, Atatürk University, 25240, Erzurum, Turkey n.noroozi@urmia.ac.ir or pesyan@gmail.com CONTENTS Spectra Crystallographic data of 25b page S-2 S-55 page S-56 S-69 Corresponding author, Tel.: (+98) , Fax: (+98) , n.noroozi@urmia.ac.ir or pesyan@gmail.com 1
2 IR-Spectrum of 23a 2
3 1 H NMR spectrum of 23a 3
4 13 C NMR spectrum of 23a 4
5 IR-Spectrum of 23c 5
6 1 H NMR spectrum of 23c 6
7 13 C NMR spectrum of 23c 7
8 IR spectrum of 24a 1 H NMR spectrum of 24a 8
9 13 C NMR spectrum of 24a Mass spectrum of 24a 9
10 IR spectrum of 24b 1 H NMR spectrum of 24b 10
11 13 C NMR spectrum of 24b IR spectrum of 25a 11
12 1 H NMR spectrum of 25a 13 C NMR spectrum of 25a 12
13 IR spectrum of 25b 1 H NMR spectrum of 25b 13
14 13 C NMR spectrum of 25b IR spectrum of 25c 14
15 1 H NMR spectrum of 25c 13 C NMR spectrum of 25c 15
16 IR spectrum of 26a 1 H NMR spectrum of 26a 16
17 Expanded 1 H NMR spectrum of 26a 13 C NMR spectrum of 26a 17
18 IR spectrum of 26b 1 H NMR spectrum of 26b 18
19 Expanded 1 H NMR spectrum of 26b 13 C NMR spectrum of 26b 19
20 Mass spectrum of 26b 20
21 IR spectrum of 27b 1 H NMR spectrum of 27b 21
22 13 C NMR spectrum of 27b IR spectrum of 28a 22
23 1 H NMR spectrum of 28a 13 C NMR spectrum of 28a 23
24 IR spectrum of 28b 1 HNMR spectrum of 28b 24
25 13 C NMR spectrum of 28b IR spectrum of 29a 25
26 1 H NMR spectrum of 29a 13 C NMR spectrum of 29a 26
27 IR spectrum of 29b 1 H NMR spectrum of 29b 27
28 13 C NMR spectrum of 29b IR spectrum of 30a 28
29 1 H NMR spectrum of 30a 13 C NMR spectrum of 30a 29
30 Mass spectrum of 30a IR spectrum of 30b 30
31 1 H NMR spectrum of 30b 13 C NMR spectrum of 30b 31
32 Mass spectrum of 30b IR spectrum of 31a 32
33 1 H NMR spectrum of 31a 13 C NMR spectrum of 31a 33
34 IR spectrum of 31b 1 H NMR spectrum of 31b 34
35 13 C NMR spectrum of 31b IR spectrum of 32a 35
36 1 H NMR spectrum of 32a 13 C NMR spectrum of 32a 36
37 IR spectrum of 32b 1 H NMR spectrum of 32b 37
38 13 C NMR spectrum of 32b IR spectrum of 33b 38
39 1 H NMR spectrum of 33b 13 C NMR spectrum of 33b 39
40 Mass Spectrum of 33b IR spectrum of 34b 40
41 1 H NMR spectrum of 34b 13 C NMR spectrum of 34b 41
42 IR spectrum of 38a 1 H NMR spectrum of 38a 42
43 13 C NMR spectrum of 38a IR spectrum of 38b 43
44 1 H NMR spectrum of 38b 13 C NMR spectrum of 38b 44
45 IR spectrum of 40a 1 H NMR spectrum of 40a 45
46 13 C NMR spectrum of 40a Mass spectrum of 40a 46
47 IR spectrum of 40b 1 H NMR spectrum of 40b 47
48 13 C NMR spectrum of 40b Mass spectrum of 40b 48
49 IR spectrum of 42a 1 H NMR spectrum of 42a 49
50 13 C NMR spectrum of 42a IR spectrum of 42b 50
51 1 H NMR spectrum of 42b 13 C NMR spectrum of 42b 51
52 IR spectrum of 43b 1 H NMR spectrum of 43b 52
53 13 C NMR spectrum of 43b Mass spectrum of 43b 53
54 IR spectrum of 44b 1 H NMR spectrum of 44b 54
55 13 C NMR spectrum of 44b Mass spectrum of 44b 55
56 X-ray crystallographic data of 25b data_shelxliran-nurozi-3 _audit_creation_method SHELXL-97 _chemical_name_systematic ;? ; _chemical_name_common? _chemical_melting_point? _chemical_formula_moiety? _chemical_formula_sum 'C14 H16 N4 O6' _chemical_formula_weight loop atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag 56
57 _atom_type_scat_source 'C' 'C' 'International Tables Vol C Tables and ' 'H' 'H' 'International Tables Vol C Tables and ' 'N' 'N' 'International Tables Vol C Tables and ' 'O' 'O' 'International Tables Vol C Tables and ' _symmetry_cell_setting? _symmetry_space_group_name_h-m? loop symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 8.974(5) _cell_length_b 9.539(5) _cell_length_c (5) _cell_angle_alpha (5) _cell_angle_beta (5) _cell_angle_gamma (5) _cell_volume 725.8(7) _cell_formula_units_z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used? _cell_measurement_theta_min? _cell_measurement_theta_max? _exptl_crystal_description? _exptl_crystal_colour? _exptl_crystal_size_max? 57
58 _exptl_crystal_size_mid? _exptl_crystal_size_min? _exptl_crystal_density_meas? _exptl_crystal_density_diffrn _exptl_crystal_density_method 'not measured' _exptl_crystal_f_ _exptl_absorpt_coefficient_mu _exptl_absorpt_correction_type? _exptl_absorpt_correction_t_min? _exptl_absorpt_correction_t_max? _exptl_absorpt_process_details? _exptl_special_details ;? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type? _diffrn_measurement_method? _diffrn_detector_area_resol_mean? _diffrn_standards_number? _diffrn_standards_interval_count? _diffrn_standards_interval_time? _diffrn_standards_decay_%? _diffrn_reflns_number _diffrn_reflns_av_r_equivalents _diffrn_reflns_av_sigmai/neti _diffrn_reflns_limit_h_min -10 _diffrn_reflns_limit_h_max 11 58
59 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -12 _diffrn_reflns_limit_l_max 12 _diffrn_reflns_theta_min 2.25 _diffrn_reflns_theta_max _reflns_number_total 3047 _reflns_number_gt 2171 _reflns_threshold_expression >2\s(I) _computing_data_collection? _computing_cell_refinement? _computing_data_reduction? _computing_structure_solution? _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics? _computing_publication_material? _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wr and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(fo^2^)+(0.1025p)^2^ p] where P=(Fo^2^+2Fc^2^)/3' 59
60 _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment mixed _refine_ls_extinction_method none _refine_ls_extinction_coef? _refine_ls_number_reflns 3047 _refine_ls_number_parameters 217 _refine_ls_number_restraints 0 _refine_ls_r_factor_all _refine_ls_r_factor_gt _refine_ls_wr_factor_ref _refine_ls_wr_factor_gt _refine_ls_goodness_of_fit_ref _refine_ls_restrained_s_all _refine_ls_shift/su_max _refine_ls_shift/su_mean loop atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_u_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group O1 O (2) (2) (2) (5) Uani 1 1 d... N2 N (3) (3) (3) (6) Uani 1 1 d... 60
61 N1 N (3) (3) (3) (6) Uani 1 1 d... O2 O (3) (2) (3) (6) Uani 1 1 d... N3 N (3) (3) (3) (6) Uani 1 1 d... C5 C (3) (3) (3) (7) Uani 1 1 d... C3 C (3) (3) (3) (6) Uani 1 1 d... O6 O (3) (3) (2) (6) Uani 1 1 d... C6 C (3) (3) (3) (6) Uani 1 1 d... O5 O (3) (3) (3) (6) Uani 1 1 d... C4 C (3) (3) (3) (6) Uani 1 1 d... C11 C (3) (3) (3) (7) Uani 1 1 d... O3 O (3) (3) (3) (6) Uani 1 1 d... O4 O (3) (3) (3) (7) Uani 1 1 d... N4 N (3) (3) (3) (6) Uani 1 1 d... C13 C (3) (3) (3) (7) Uani 1 1 d... C12 C (3) (3) (3) (7) Uani 1 1 d... C9 C (4) (4) (4) (8) Uani 1 1 d... H9A H Uiso 1 1 calc R.. H9B H Uiso 1 1 calc R.. H9C H Uiso 1 1 calc R.. C8 C (4) (4) (4) (8) Uani 1 1 d... H8A H Uiso 1 1 calc R.. H8B H Uiso 1 1 calc R.. H8C H Uiso 1 1 calc R.. C2 C (3) (3) (3) (7) Uani 1 1 d... H2 H Uiso 1 1 calc R.. C1 C (3) (3) (3) (6) Uani 1 1 d... C15 C (5) (4) (4) (9) Uani 1 1 d... H15A H Uiso 1 1 calc R.. H15B H Uiso 1 1 calc R.. H15C H Uiso 1 1 calc R.. C14 C (4) (4) (4) (9) Uani 1 1 d... H14A H Uiso 1 1 calc R.. H14B H Uiso 1 1 calc R.. H14C H Uiso 1 1 calc R.. 61
62 C10 C (4) (4) (4) (10) Uani 1 1 d... H10A H Uiso 1 1 calc R.. H10B H Uiso 1 1 calc R.. H10C H Uiso 1 1 calc R.. loop atom_site_aniso_label _atom_site_aniso_u_11 _atom_site_aniso_u_22 _atom_site_aniso_u_33 _atom_site_aniso_u_23 _atom_site_aniso_u_13 _atom_site_aniso_u_12 O (11) (11) (12) (10) (9) (8) N (12) (12) (14) (11) (10) (9) N (12) (12) (14) (11) (11) (10) O (14) (11) (16) (11) (12) (10) N (13) (13) (13) (11) (11) (10) C (15) (14) (17) (13) (13) (11) C (14) (13) (15) (12) (12) (10) O (12) (14) (13) (11) (10) (10) C (14) (14) (15) (12) (12) (11) O (13) (13) (15) (12) (12) (11) C (14) (13) (15) (12) (11) (10) C (15) (16) (16) (13) (13) (12) O (14) (14) (14) (11) (12) (11) O (14) (12) (17) (12) (13) (10) N (12) (13) (14) (11) (11) (9) C (15) (16) (16) (13) (12) (12) C (14) (16) (16) (13) (12) (11) C (18) (17) 0.067(2) (16) (16) (14) C (17) (17) (19) (15) (15) (13) C (14) (15) (16) (13) (12) (11) C (14) (14) (16) (13) (12) (11) 62
63 C (2) (17) (18) (14) (16) (15) C (18) 0.069(2) 0.070(2) (18) (17) (15) C (19) (17) 0.088(3) (17) (18) (14) _geom_special_details ; All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. ; loop geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag O1 C (3).? O1 C (3).? N2 C (3).? N2 C (4).? N2 C (4).? N1 C (4).? N1 C (4).? N1 C (4).? O2 C (3).? N3 C (4).? N3 C (4).? N3 C (4).? C3 C (4).? C3 C (4).? 63
64 C3 C (4).? O6 C (3).? O5 C (4).? C11 O (4).? C11 C (4).? O4 C (4).? N4 C (4).? N4 C (4).? N4 C (4).? C12 C (4).? C9 H9A ? C9 H9B ? C9 H9C ? C8 H8A ? C8 H8B ? C8 H8C ? C2 C (4).? C2 C (4).? C2 H ? C15 H15A ? C15 H15B ? C15 H15C ? C14 H14A ? C14 H14B ? C14 H14C ? C10 H10A ? C10 H10B ? C10 H10C ? loop geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle 64
65 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C4 O1 C (2)..? C4 N2 C (3)..? C4 N2 C (2)..? C9 N2 C (2)..? C5 N1 C (2)..? C5 N1 C (2)..? C6 N1 C (2)..? C13 N3 C (2)..? C13 N3 C (3)..? C11 N3 C (3)..? O2 C5 N (3)..? O2 C5 N (3)..? N1 C5 N (2)..? C4 C3 C (3)..? C4 C3 C (2)..? C6 C3 C (2)..? O6 C6 N (3)..? O6 C6 C (3)..? N1 C6 C (2)..? C3 C4 N (3)..? C3 C4 O (2)..? N2 C4 O (2)..? O3 C11 N (3)..? O3 C11 C (3)..? N3 C11 C (2)..? C13 N4 C (2)..? C13 N4 C (3)..? C12 N4 C (3)..? O5 C13 N (3)..? O5 C13 N (3)..? N4 C13 N (2)..? 65
66 O4 C12 N (3)..? O4 C12 C (3)..? N4 C12 C (2)..? N2 C9 H9A ? N2 C9 H9B ? H9A C9 H9B ? N2 C9 H9C ? H9A C9 H9C ? H9B C9 H9C ? N1 C8 H8A ? N1 C8 H8B ? H8A C8 H8B ? N1 C8 H8C ? H8A C8 H8C ? H8B C8 H8C ? C10 C2 C (3)..? C10 C2 C (3)..? C1 C2 C (2)..? C10 C2 H ? C1 C2 H ? C3 C2 H ? O1 C1 C (2)..? O1 C1 C (2)..? C12 C1 C (2)..? O1 C1 C (2)..? C12 C1 C (2)..? C11 C1 C (2)..? N3 C15 H15A ? N3 C15 H15B ? H15A C15 H15B ? N3 C15 H15C ? H15A C15 H15C ? H15B C15 H15C ? N4 C14 H14A ? 66
67 N4 C14 H14B ? H14A C14 H14B ? N4 C14 H14C ? H14A C14 H14C ? H14B C14 H14C ? C2 C10 H10A ? C2 C10 H10B ? H10A C10 H10B ? C2 C10 H10C ? H10A C10 H10C ? H10B C10 H10C ? loop geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C6 N1 C5 O (2)....? C8 N1 C5 O2-3.6(4)....? C6 N1 C5 N2 0.4(4)....? C8 N1 C5 N (2)....? C4 N2 C5 O (3)....? C9 N2 C5 O2 2.7(4)....? C4 N2 C5 N1-3.8(4)....? C9 N2 C5 N (2)....? C5 N1 C6 O (3)....? C8 N1 C6 O6 4.3(4)....? C5 N1 C6 C3 1.9(4)....? 67
68 C8 N1 C6 C (2)....? C4 C3 C6 O (3)....? C2 C3 C6 O6-3.0(5)....? C4 C3 C6 N1-1.1(4)....? C2 C3 C6 N (3)....? C6 C3 C4 N2-2.2(4)....? C2 C3 C4 N (2)....? C6 C3 C4 O (2)....? C2 C3 C4 O1 1.0(3)....? C9 N2 C4 C (3)....? C5 N2 C4 C3 4.9(4)....? C9 N2 C4 O1-1.7(4)....? C5 N2 C4 O (2)....? C1 O1 C4 C3 5.6(3)....? C1 O1 C4 N (2)....? C13 N3 C11 O (3)....? C15 N3 C11 O3 4.9(4)....? C13 N3 C11 C1 13.2(4)....? C15 N3 C11 C (2)....? C12 N4 C13 O (3)....? C14 N4 C13 O5-1.9(4)....? C12 N4 C13 N3-9.7(4)....? C14 N4 C13 N (2)....? C11 N3 C13 O (3)....? C15 N3 C13 O5 7.0(4)....? C11 N3 C13 N4 7.9(4)....? C15 N3 C13 N (2)....? C13 N4 C12 O (3)....? C14 N4 C12 O4-9.9(5)....? C13 N4 C12 C1-10.8(4)....? C14 N4 C12 C (3)....? C4 C3 C2 C (3)....? C6 C3 C2 C (4)....? C4 C3 C2 C1-6.6(3)....? 68
69 C6 C3 C2 C (3)....? C4 O1 C1 C (3)....? C4 O1 C1 C (2)....? C4 O1 C1 C2-9.1(3)....? O4 C12 C1 O1-34.5(4)....? N4 C12 C1 O (2)....? O4 C12 C1 C (3)....? N4 C12 C1 C (3)....? O4 C12 C1 C2 76.4(3)....? N4 C12 C1 C2-99.5(3)....? O3 C11 C1 O1 31.0(3)....? N3 C11 C1 O (2)....? O3 C11 C1 C (3)....? N3 C11 C1 C (3)....? O3 C11 C1 C2-84.9(3)....? N3 C11 C1 C2 90.7(3)....? C10 C2 C1 O (3)....? C3 C2 C1 O1 9.1(3)....? C10 C2 C1 C (3)....? C3 C2 C1 C (2)....? C10 C2 C1 C11 7.1(4)....? C3 C2 C1 C (3)....? _diffrn_measured_fraction_theta_max _diffrn_reflns_theta_full _diffrn_measured_fraction_theta_full _refine_diff_density_max _refine_diff_density_min _refine_diff_density_rms
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data reports Metal-organic coordination complexes of N,N 0 -bis(salicylidene)ethylenediamine (salen) Schiff-base derivatives have been studied extensively within the fields of homogeneous catalysis (Wezenberg
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Bis{3-amino-1-carbamothioyl-5-[(2-{[(5- methyl-1h-imidazol-3-ium-4-yl)methyl]- sulfanyl}ethyl)amino]-1h-1,2,4-triazol-4-
Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 385 parameters
![Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 385 parameters](/thumbs/89/100746951.jpg "Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 385 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 3a,6a-Bis(ethoxycarbonyl)glycoluril (diethyl 2,5-dioxoperhydroimidazo- [4,5-d]imidazole-3a,6a-dicarboxylate) Yu-Zhou
Experimental. Crystal data. C 32 H 25 NO 5 M r = Monoclinic, C2=c a = (6) Å b = (2) Å c = (3) Å = 96.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Methyl 9-hydroxy-15-methyl-2-oxo-11- (pyren-1-yl)-10-oxa-15-azatetracyclo- [7.6.0.0 1,12.0 3,8 ]pentadeca-3(8),4,6-
Experimental. Crystal data. C 23 H 20 N 2 O 2 M r = Monoclinic, P2 1 =c a = (3) Å b = (1) Å c = (2) Å = 91.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 8-Benzyloxy-2-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one Adel S. El-Azab, a,b Alaa A.-M. Abdel-Aziz, a,c Seik
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 2-(2-Pyridyl)pyridinium bis(pyridine-2,6- dicarboxylato-j 3 O,N,O 0 )aluminate(iii) trihydrate Janet Soleimannejad,
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organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N-[(9H-Fluoren-9-ylidene)(2-methoxyphenyl)methyl]-1,1,1-trimethylsilanamine Zhong-Yuan Li, Peng Wang and Xia Chen*
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Chlorido(2-chloronicotinato)triphenylantimony(V) Li Quan, Handong Yin* and Daqi Wang College of Chemistry
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organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 3-(Adamantan-1-yl)-4-[(E)-(2,6-difluoro- benzylidene)amino]-1-[(4-ethylpiperazin- 1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione
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organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 3b-Acetoxy-19-hydroxy-D 5 -pregnen-20- one Aike Meier zu Greffen, Darius P. Kranz, Jörg-M. Neudörfl and Hans-Günther
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organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 3,5-Diphenyl-1-(quinolin-2-yl)-4,5- dihydro-1h-pyrazol-5-ol Muhd. Hidayat bin Najib, a Ai Ling Tan, a David J.
data reports cis-cyclohexane-1,3-dicarboxylic acid N,N 0 -(pentane-1,5-diyl)bis(pyridine-4-carboxamide) water (1/1/2) Structure description
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Experimental. Crystal data. C 22 H 32 O 4 M r = Triclinic, P1 a = (1) Å b = (1) Å c = (1) Å = (1) = 79.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Methyl 3,5-bis(cyclohexylmethoxy)- benzoate Peter W. R. Corfield,* Michele L. Paccagnini and Amy M. Balija Department
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 b = 19.1695 (15) Å c = 16.6178 (14) Å = 90.786 (6) V = 2077.4 (3) Å 3 Z =4 Mo K radiation = 1.34 mm 1 T
b = (10) Å c = (3) Å V = (3) Å 3 Z =4 Data collection Refinement
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Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 315 parameters
![Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 315 parameters](/thumbs/93/111285639.jpg "Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 315 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 N-(2,4,5-Trichlorophenyl)maleamic acid B. Thimme Gowda, a * Miroslav Tokarčík, b Jozef Kožíšek, b K. Shakuntala
Limonin isolated from the seeds of Citrus limetta (Indian sweet lemon)
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Development of Pyridine Based o-aminophenolate Zinc Complexes as Structurally Tunable Catalysts for CO 2 Fixation into Cyclic Carbonates
Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2017 Electronic Supporting Information
Experimental. Crystal data. C 20 H 26 O 4 M r = Orthorhombic, P a = (1) Å b = (2) Å c = 13.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Redetermination and absolute configuration of 6-hydroxysalvinolone Hoong-Kun Fun, a * Ching Kheng Quah a and Suchada
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metal-organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Di-l 2 -acetato-1:2j 2 O:O 0 ;2:3j 2 O:O 0 -bis- (N,N 0 -dimethylformamide)-1jo,3jobis{l 2-2,2 0 -[propane-1,3-diylbis(iminomethylene)]diphenolato-1j
Experimental. Crystal data
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 1-(4-Methylphenylsulfonyl)-2-{[3-methyl- 4-(2,2,2-trifluoroethoxy)pyridin-2-yl]- methylsulfanyl}-1h-1,3-benzimidazole
Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 192 parameters
![Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 192 parameters](/thumbs/88/117039518.jpg "Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 192 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 (2Z)-2-(4-Methylphenyl)-3-(2-naphthyl)- prop-2-enenitrile Abdullah Mohamed Asiri, a Mehmet Akkurt, b * Islam Ullah
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data reports ISSN 2056-9890 Crystal structure of (tert-butyldimethylsilyl)triphenylgermane, Ph 3 Ge-SiMe 2 (t-bu) Kirill V. Zaitsev, a Galina S. Zaitseva, a Sergey S. Karlov a * and Alexander A. Korlyukov
addenda and errata 5,17-Di-tert-butyl-25,27-dihydroxycalix[4]arene. Erratum
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addenda and errata Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 5,17-Di-tert-butyl-25,27-dihydroxycalix[4]arene. Erratum Jeffrey C. Bryan,* Richard A. Sachleben and Agathe Urvoas
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Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 225 parameters
![Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 225 parameters](/thumbs/94/121875120.jpg "Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 225 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Dicyclohexylammonium 2-methoxybenzoate Nenad Judaš a * and Tomislav Portada b Data collection Oxford Diffraction
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Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 283 parameters
![Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 283 parameters](/thumbs/95/122502633.jpg "Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 283 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Dimethylammonium 3-carboxybenzoate Tausif Siddiqui, Vandavasi Koteswara Rao, Matthias Zeller and Sherri R. Lovelace-Cameron*
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![Z =4 Mo K radiation = 0.10 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections](/thumbs/80/81388414.jpg "Z =4 Mo K radiation = 0.10 mm 1. Data collection. Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections")
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Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 359 parameters
![Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 359 parameters](/thumbs/92/110032739.jpg "Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 359 parameters")
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 Benzene-1,3,5-tricarboxylic acid 1,2- bis(1,2,4-triazol-4-yl)ethane water (4/1/2) Hesham A. Habib and Christoph
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Experimental. Crystal data. C 26 H 30 N 2 M r = Triclinic, P1 a = (3) Å b = (4) Å c = (5) Å = (2) = 77.
organic compounds Acta Crystallographica Section E Structure Reports Online ISSN 1600-5368 (E)-N-[2-(Benzyliminomethyl)phenyl]- 2,6-diisopropylaniline Yi-Chang Liu, a Chia-Her Lin, a Hsiao-Li Chen b and
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Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 405 parameters 12 restraints
![Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 405 parameters 12 restraints](/thumbs/94/121780855.jpg "Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections 405 parameters 12 restraints")
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Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections. Symmetry codes: (i) x; y 1 2 ; z þ 1 2 ; (ii) x; y þ 1 2 ; z þ 1 2
![Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections. Symmetry codes: (i) x; y 1 2 ; z þ 1 2 ; (ii) x; y þ 1 2 ; z þ 1 2](/thumbs/87/96216596.jpg "Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections. Symmetry codes: (i) x; y 1 2 ; z þ 1 2 ; (ii) x; y þ 1 2 ; z þ 1 2")
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= 0.22 mm 1 T = 295 K. Data collection. T min = 0.953, T max = Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections
![= 0.22 mm 1 T = 295 K. Data collection. T min = 0.953, T max = Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections](/thumbs/93/113509524.jpg "= 0.22 mm 1 T = 295 K. Data collection. T min = 0.953, T max = Refinement. R[F 2 >2(F 2 )] = wr(f 2 ) = S = reflections")
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