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Information card for entry 2022178
Preview
Coordinates | 2022178.cif |
---|---|
Structure factors | 2022178.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine |
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Formula | C13 H9 Cl2 N3 O2 |
Calculated formula | C13 H9 Cl2 N3 O2 |
SMILES | Clc1c(N/N=C/c2ccccc2N(=O)=O)c(Cl)ccc1 |
Title of publication | Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine |
Authors of publication | Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya |
Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 8 |
Pages of publication | 1173 |
a | 7.1138 ± 0.0004 Å |
b | 12.6827 ± 0.0006 Å |
c | 15.1613 ± 0.0008 Å |
α | 90° |
β | 100.571 ± 0.002° |
γ | 90° |
Cell volume | 1344.67 ± 0.12 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0609 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1125 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
253758 (current) | 2020-07-04 | cif/ hkl/ Adding structures of 2022178 via cif-deposit CGI script. |
2022178.cif 2022178.hkl |
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Users of the data should acknowledge the original authors of the
structural data.