Information card for entry 2212191

Structure parameters

• Common name: carvedilol
• Chemical name: 1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
• Formula: C24 H26 N2 O4
• Calculated formula: C24 H26 N2 O4
• SMILES: [nH]1c2c(c(OCC(CNCCOc3c(cccc3)OC)O)ccc2)c2ccccc12
• Title of publication: A second polymorph of carvedilol
• Authors of publication: Yathirajan, H. S.; Bindya, S.; Sreevidya, T. V.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o542 - o544
• a: 15.5414 ± 0.0014 Å
• b: 15.205 ± 0.0012 Å
• c: 9.1174 ± 0.0008 Å
• α: 90°
• β: 100.73 ± 0.007°
• γ: 90°
• Cell volume: 2116.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes