Information card for entry 2231980

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide
• Formula: C13 H18 Cl N3 O
• Calculated formula: C13 H18 Cl N3 O
• SMILES: Clc1ccc(NC(=O)N2CCN(CC2)CC)cc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)-4-ethylpiperazine-1-carboxamide
• Authors of publication: Li, Yu-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2574
• a: 9.5546 ± 0.0019 Å
• b: 10.91 ± 0.002 Å
• c: 26.477 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1117
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes