Information card for entry 2201947

Structure parameters

• Chemical name: N-(N-Benzoyl-hydrazinocarbothioyl)-benzamide
• Formula: C15 H13 N3 O2 S
• Calculated formula: C15 H13 N3 O2 S
• SMILES: S=C(NC(=O)c1ccccc1)NNC(=O)c1ccccc1
• Title of publication: <i>N</i>-(<i>N</i>-Benzoylhydrazinocarbothioyl)benzamide
• Authors of publication: M. Sukeri M. Yusof; Bohari M. Yamin; Mustaffa Shamsudin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o810 - o811
• a: 14.7949 ± 0.0019 Å
• b: 7.7004 ± 0.001 Å
• c: 13.9577 ± 0.0018 Å
• α: 90°
• β: 117.705 ± 0.002°
• γ: 90°
• Cell volume: 1407.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.097
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes