Information card for entry 8107491

Structure parameters

• Formula: C14 H19 Cl N2 O
• Calculated formula: C14 H19 Cl N2 O
• Title of publication: The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O
• Authors of publication: Li, Yuanci; Feng, Zhiqiang; Tong, Hongjuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 547 - 549
• a: 8.9579 ± 0.0003 Å
• b: 12.2172 ± 0.0004 Å
• c: 12.5669 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.33 ± 0.08 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No