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Information card for entry 2232529
Preview
Coordinates | 2232529.cif |
---|---|
Structure factors | 2232529.hkl |
Original IUCr paper | HTML |
Chemical name | 3-[3-Methyl-4-(4-nitrobenzylideneamino)-5-sulfanylidene-4,5-dihydro-1<i>H</i>- 1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one dichloromethane monosolvate |
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Formula | C26 H23 Cl2 N5 O3 S |
Calculated formula | C25.9998 H22.9996 Cl1.9996 N5 O3 S |
Title of publication | 3-[3-Methyl-4-(4-nitrobenzylideneamino)-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-yl]-1,3-diphenylpropan-1-one dichloromethane monosolvate |
Authors of publication | Wang, Wei; Jia, Wei-Min; Xu, Chao; Wu, Wen-Peng; Liu, Qing-Lei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | o3135 |
a | 8.988 ± 0.0013 Å |
b | 11.444 ± 0.0015 Å |
c | 14.8604 ± 0.0018 Å |
α | 70.212 ± 0.011° |
β | 88.973 ± 0.013° |
γ | 67.02 ± 0.009° |
Cell volume | 1312.6 ± 0.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1487 |
Weighted residual factors for all reflections included in the refinement | 0.1591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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