Information card for entry 8107402

Structure parameters

• Formula: C15 H14 Cl N3 O2
• Calculated formula: C15 H14 Cl N3 O2
• Title of publication: Hydrogen bonded dimers in the crystal structure of 2-chloro-N-((3,5-dimethylphenyl)carbamoyl)-nicotinamide, C30H28Cl2N6O4
• Authors of publication: Wang, Yi-Ning; Min, Li-Jing; Han, Liang; Liu, Xing-Hai; Sun, Guo-Xiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 227 - 229
• a: 15.812 ± 0.005 Å
• b: 8.82 ± 0.003 Å
• c: 22.615 ± 0.007 Å
• α: 90°
• β: 109.814 ± 0.01°
• γ: 90°
• Cell volume: 2967.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0854
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No