Information card for entry 8106984

Structure parameters

• Formula: C9 H5 Cl N4
• Calculated formula: C9 H5 Cl N4
• Title of publication: Crystal structure of 2-((2-chloropyridin-3-ylamino)methylene)malononitrile, C9H5ClN4
• Authors of publication: Ghorab, Mostafa M.; Alsaid, Mansour S.; Al-Mishari, Abdullah A.; AlRuqi, Obaid S.; Ghabbour, Hazem A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 711 - 713
• a: 8.1178 ± 0.0004 Å
• b: 7.2367 ± 0.0004 Å
• c: 15.2585 ± 0.0008 Å
• α: 90°
• β: 101.506 ± 0.002°
• γ: 90°
• Cell volume: 878.36 ± 0.08 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: 0.0546
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No