Information card for entry 2006766

Structure parameters

• Chemical name: N-ethyl Benzhydrylamine Hydrochloride
• Formula: C15 H18 Cl N
• Calculated formula: C15 H18 Cl N
• SMILES: [Cl-].[NH2+](C(c1ccccc1)c1ccccc1)CC
• Title of publication: <i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride
• Authors of publication: Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1913 - 1916
• a: 9.615 ± 0.002 Å
• b: 9.102 ± 0.002 Å
• c: 15.933 ± 0.003 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 1394.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.0913
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No