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Information card for entry 2242687
Preview
Coordinates | 2242687.cif |
---|---|
Structure factors | 2242687.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-4-Chloro-<i>N</i>'-(2-methylbenzylidene)benzenesulfonohydrazide |
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Formula | C14 H13 Cl N2 O2 S |
Calculated formula | C14 H13 Cl N2 O2 S |
SMILES | c1(ccc(cc1)Cl)S(=O)(=O)N/N=C/c1c(cccc1)C |
Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives |
Authors of publication | Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 11 |
Pages of publication | 1613 - 1618 |
a | 15.034 ± 0.002 Å |
b | 10.18 ± 0.001 Å |
c | 9.8119 ± 0.0009 Å |
α | 90° |
β | 106.34 ± 0.01° |
γ | 90° |
Cell volume | 1441 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1006 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for significantly intense reflections | 0.1779 |
Weighted residual factors for all reflections included in the refinement | 0.1953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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