Information card for entry 2235492

Structure parameters

• Chemical name: 1-Chloro-1-[(<i>Z</i>)-2-phenylhydrazin-1-ylidene]propan-2-one
• Formula: C9 H9 Cl N2 O
• Calculated formula: C9 H9 Cl N2 O
• SMILES: Cl/C(=N\Nc1ccccc1)C(=O)C
• Title of publication: 1-Chloro-1-[(<i>Z</i>)-2-phenylhydrazin-1-ylidene]propan-2-one
• Authors of publication: Abdel-Aziz, Hatem A.; Chia, Tze Shyang; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2263
• a: 7.2681 ± 0.0014 Å
• b: 12.361 ± 0.002 Å
• c: 10.704 ± 0.002 Å
• α: 90°
• β: 101.158 ± 0.003°
• γ: 90°
• Cell volume: 943.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0626
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes