Information card for entry 2222802

Structure parameters

• Common name: Carvedilol dihydrogen phosphate hemihydrate
• Chemical name: 3-(9<i>H</i>-carbazol-4-yloxy)-2-hydroxy-<i>N</i>-[2-(2- methoxyphenoxy)ethyl]propan-1-aminium dihydrogen phosphate hemihydrate]
• Formula: C24 H30 N2 O8.5 P
• Calculated formula: C24 H30 N2 O8.5 P
• SMILES: C(C(COc1cccc2[nH]c3ccccc3c12)O)[NH2+]CCOc1c(cccc1)OC.OP(=O)([O-])O.O
• Title of publication: Carvedilol dihydrogen phosphate hemihydrate: a powder study
• Authors of publication: Chernyshev, Vladimir V.; Machula, Alexandre A.; Kukushkin, Sergei Yu.; Velikodny, Yurii A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2020 - o2021
• a: 26.6 ± 0.002 Å
• b: 12.3767 ± 0.0012 Å
• c: 16.5101 ± 0.0015 Å
• α: 90°
• β: 106.662 ± 0.011°
• γ: 90°
• Cell volume: 5207.2 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Goodness-of-fit parameter for all reflections: 2.4347
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No