Information card for entry 2022799

Structure parameters

• Common name: 2-Amino-5-chlorobenzophenone oxime
• Chemical name: 4-Chloro-2-[(hydroxyimino)(phenyl)methyl]aniline
• Formula: C13 H11 Cl N2 O
• Calculated formula: C13 H11 Cl N2 O
• SMILES: Clc1ccc(N)c(c1)C(=N\O)/c1ccccc1
• Title of publication: Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chlorobenzophenone oxime at 90 K
• Authors of publication: Geetha, Doreswamy; Kavitha, Channappa N.; Divakara, Thayamma R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 12.8264 ± 0.0003 Å
• b: 5.5423 ± 0.0001 Å
• c: 17.4082 ± 0.0004 Å
• α: 90°
• β: 109.522 ± 0.001°
• γ: 90°
• Cell volume: 1166.37 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes