Information card for entry 7225384

Structure parameters

• Common name: 4-aminoquinaldine monohydrate
• Chemical name: 2-Methyl-4-quinolinamine
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: c1(cc(c2ccccc2n1)N)C.O
• Title of publication: 4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form
• Authors of publication: Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4053
• a: 4.7832 ± 0.0005 Å
• b: 12.0775 ± 0.0004 Å
• c: 16.3371 ± 0.0005 Å
• α: 90°
• β: 92.226 ± 0.003°
• γ: 90°
• Cell volume: 943.07 ± 0.11 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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 R(I) for significantly intense reflections: 7.0966
• Goodness-of-fit parameter for all reflections: 3.71
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No