Information card for entry 8107441

Structure parameters

• Chemical name: 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O1? C~16~H~13~N~3~O~1~
• Formula: C16 H13 N3 O
• Calculated formula: C16 H13 N3 O
• Title of publication: Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O
• Authors of publication: Cui, Beibei; Mi, Xia; Zhang, Jingyu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 2
• Pages of publication: 361 - 362
• a: 7.6087 ± 0.0004 Å
• b: 9.6681 ± 0.0004 Å
• c: 18.66 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1372.66 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No