Information card for entry 2236980

Structure parameters

• Chemical name: 2-(4-Methylphenyl)acetohydrazide
• Formula: C9 H12 N2 O
• Calculated formula: C9 H12 N2 O
• SMILES: O=C(NN)Cc1ccc(cc1)C
• Title of publication: 2-(4-Methylphenyl)acetohydrazide
• Authors of publication: Praveen, A.S.; Jasinski, Jerry P.; Krauss, Shannon T.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3467
• a: 15.4261 ± 0.0016 Å
• b: 6.2618 ± 0.0007 Å
• c: 9.2073 ± 0.001 Å
• α: 90°
• β: 106.651 ± 0.012°
• γ: 90°
• Cell volume: 852.09 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes