Information card for entry 8104787

Structure parameters

• Chemical name: 3-chloro-4-(4-ethylpiperazin-1-yl)aniline
• Formula: C12 H20 Cl N3 O
• Calculated formula: C12 H20 Cl N3 O
• Title of publication: Crystal structure of 3-chloro-4-(4-ethylpiperazin-1-yl)aniline monohydrate, C12H20ClN3O
• Authors of publication: Gu, Jia; Chen, Jin-Zhu; Nie, Xu-Liang; Huang, Guo-Ping; Huang, Jian-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 635 - 637
• a: 27.228 ± 0.005 Å
• b: 11.38 ± 0.002 Å
• c: 9.3775 ± 0.0016 Å
• α: 90°
• β: 95.733 ± 0.002°
• γ: 90°
• Cell volume: 2891.1 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No