Information card for entry 8107721

Structure parameters

• Common name: alpha-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile
• Formula: C14 H8 Cl2 N2 O
• Calculated formula: C14 H8 Cl2 N2 O
• SMILES: ClC\1=C\C(=C(/c2ccccc2)C#N)C(=CC1=N\O)Cl
• Title of publication: Crystal structure of α-(4-(hydroxyimino)-2,5-dichloro-2,5-cyclohexadien- 1-ylidene)-benzeneacetonitrile, C14H8Cl2N2O
• Authors of publication: Hong, Zhi; Chen, Guang; Jiang, Hua-Jiang; Chen, Ren-Er; Su, Wei-Ke
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 2
• Pages of publication: 71 - 72
• a: 18.692 ± 0.004 Å
• b: 5.8557 ± 0.0013 Å
• c: 12.575 ± 0.003 Å
• α: 90°
• β: 106.875 ± 0.003°
• γ: 90°
• Cell volume: 1317.1 ± 0.5 ų
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No