Information card for entry 2214537

Structure parameters

• Chemical name: 5-Chloro-3-ethyl-N-[3-(morpholin-4-yl)propyl]-1H-indole-2-carboxamide
• Formula: C18 H24 Cl N3 O2
• Calculated formula: C18 H24 Cl N3 O2
• SMILES: c1(ccc2c(c1)c(c(C(=O)NCCCN1CCOCC1)[nH]2)CC)Cl
• Title of publication: 5-Chloro-3-ethyl-<i>N</i>-[3-(morpholin-4-yl)propyl]-1<i>H</i>-indole-2-carboxamide
• Authors of publication: Muirhead, Kirsty E. A.; Trembleau, Laurent; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3390 - o3390
• a: 4.8178 ± 0.0003 Å
• b: 12.1967 ± 0.0012 Å
• c: 29.576 ± 0.003 Å
• α: 90°
• β: 93.265 ± 0.005°
• γ: 90°
• Cell volume: 1735.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1993
• Residual factor for significantly intense reflections: 0.1422
• Weighted residual factors for significantly intense reflections: 0.3029
• Weighted residual factors for all reflections included in the refinement: 0.342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes