Information card for entry 2232269

Structure parameters

• Chemical name: <i>N</i>'-(4-Chlorobenzylidene)-2-[4-(methylsulfanyl)phenyl]acetohydrazide
• Formula: C16 H15 Cl N2 O S
• Calculated formula: C16 H15 Cl N2 O S
• SMILES: Clc1ccc(cc1)C=NNC(=O)Cc1ccc(SC)cc1
• Title of publication: <i>N</i>'-(4-Chlorobenzylidene)-2-[4-(methylsulfanyl)phenyl]acetohydrazide
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Sumangala, V.; Prasad, D. Jagadeesh; Poojary, Boja
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2847
• a: 17.0923 ± 0.0013 Å
• b: 9.6719 ± 0.0007 Å
• c: 9.5592 ± 0.0007 Å
• α: 90°
• β: 92.399 ± 0.001°
• γ: 90°
• Cell volume: 1578.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes