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Information card for entry 2241082
Preview
Coordinates | 2241082.cif |
---|---|
Structure factors | 2241082.hkl |
Original paper (by DOI) | HTML |
Chemical name | (<i>E</i>)-<i>N</i>'-(3,4-Difluorobenzylidene)-4-methylbenzenesulfonohydrazide |
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Formula | C14 H12 F2 N2 O2 S |
Calculated formula | C14 H12 F2 N2 O2 S |
SMILES | S(=O)(=O)(N/N=C/c1cc(F)c(F)cc1)c1ccc(cc1)C |
Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>'-(3,4-difluorobenzylidene)-4-methylbenzenesulfonohydrazide |
Authors of publication | Wang, Yeming; Yan, Hong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 10 |
Pages of publication | o761 |
a | 5.3161 ± 0.0011 Å |
b | 15.388 ± 0.003 Å |
c | 17.293 ± 0.004 Å |
α | 90° |
β | 97.44 ± 0.03° |
γ | 90° |
Cell volume | 1402.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0478 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1156 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241082.cif 2241082.hkl |
176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2241082.cif 2241082.hkl |
158336 | 2015-09-26 | cif/ hkl/ Adding structures of 2241082 via cif-deposit CGI script. |
2241082.cif 2241082.hkl |
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Users of the data should acknowledge the original authors of the
structural data.