Information card for entry 2214870

Structure parameters

• Chemical name: 5-Chloro-3-ethyl-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• Formula: C17 H22 Cl N3 O2
• Calculated formula: C17 H22 Cl N3 O2
• SMILES: c1(ccc2c(c1)c(c(C(=O)NCCN1CCOCC1)[nH]2)CC)Cl
• Title of publication: 5-Chloro-3-ethyl-<i>N</i>-[2-(morpholin-4-yl)ethyl]-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: o3389 - o3389
• a: 9.1886 ± 0.0013 Å
• b: 9.7175 ± 0.0013 Å
• c: 11.2807 ± 0.001 Å
• α: 73.755 ± 0.006°
• β: 79.612 ± 0.006°
• γ: 63.056 ± 0.005°
• Cell volume: 860.38 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.262
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.22
• Weighted residual factors for all reflections included in the refinement: 0.289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes