Information card for entry 2230025

Structure parameters

• Chemical name: (2<i>E</i>)-2-(2-Phenylhydrazin-1-ylidene)propanoic acid
• Formula: C9 H10 N2 O2
• Calculated formula: C9 H10 N2 O2
• SMILES: OC(=O)C(=N\Nc1ccccc1)\C
• Title of publication: (2<i>E</i>)-2-(2-Phenylhydrazin-1-ylidene)propanoic acid
• Authors of publication: Affan, Md. Abu; Salam, M. A.; Siew, Eleazar Veronica; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1163
• a: 7.3239 ± 0.0003 Å
• b: 12.0837 ± 0.0007 Å
• c: 9.6836 ± 0.0004 Å
• α: 90°
• β: 99.119 ± 0.004°
• γ: 90°
• Cell volume: 846.17 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes