Information card for entry 2241767

Structure parameters

• Chemical name: 2-Benzoylamino-<i>N</i>'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide
• Formula: C21 H17 N3 O3 S
• Calculated formula: C21 H17 N3 O3 S
• SMILES: C(=O)(/C(NC(=O)c1ccccc1)=C/c1sccc1)NN=Cc1ccc(O)cc1
• Title of publication: Crystal structure of 2-benzoylamino-<i>N</i>'-(4-hydroxybenzylidene)-3-(thiophen-2-yl)prop-2-enohydrazide
• Authors of publication: Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Jasinski, Jerry P.; Rathore, Ravindranath S.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1099 - 1102
• a: 22.5212 ± 0.0007 Å
• b: 10.1879 ± 0.0004 Å
• c: 17.3592 ± 0.0005 Å
• α: 90°
• β: 105.801 ± 0.003°
• γ: 90°
• Cell volume: 3832.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes