Information card for entry 8107553

Structure parameters

• Formula: C10 H10 Cl N3 O
• Calculated formula: C10 H10 Cl N3 O
• SMILES: Clc1cc2nn(C)cc2cc1NC(=O)C
• Title of publication: The crystal structure of N-(6-chloro-2-methyl-2H-indazol-5-yl)acetamide, C10H10ClN3O
• Authors of publication: Du, Yi-Jing; Sun, Hong-Shun; Wang, Jian-Qiang; Guo, Cheng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 757 - 758
• a: 4.7273 ± 0.0007 Å
• b: 10.2148 ± 0.0016 Å
• c: 21.283 ± 0.003 Å
• α: 90°
• β: 91.458 ± 0.004°
• γ: 90°
• Cell volume: 1027.4 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No