Information card for entry 2235018

Structure parameters

• Chemical name: <i>N</i>'-[Bis(benzylsulfanyl)methylidene]benzohydrazide
• Formula: C21 H19 N3 O S2
• Calculated formula: C21 H19 N3 O S2
• SMILES: S(/C(=N\NC(=O)c1ccncc1)SCc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>'-[Bis(benzylsulfanyl)methylidene]benzohydrazide
• Authors of publication: Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1640 - o1641
• a: 11.2593 ± 0.0004 Å
• b: 21.2182 ± 0.0007 Å
• c: 8.6041 ± 0.0003 Å
• α: 90°
• β: 103.678 ± 0.003°
• γ: 90°
• Cell volume: 1997.24 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes