Information card for entry 8107255

Structure parameters

• Formula: C26 H20 Cl2 N6 O4
• Calculated formula: C26 H20 Cl2 N6 O4
• Title of publication: Hydrogen bonded dimers in the crystal structure of 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
• Authors of publication: Tong, Jian-Ying; Sun, Na-Bo; Han, Liang; Liu, Xing-Hai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 929 - 931
• a: 7.7316 ± 0.0006 Å
• b: 24.8021 ± 0.0019 Å
• c: 26.074 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4999.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No