Information card for entry 2006765

Structure parameters

• Chemical name: N-methyl Benzhydrylamine Hydrochloride
• Formula: C14 H16 Cl N
• Calculated formula: C14 H16 Cl N
• SMILES: [Cl-].[NH2+](C(c1ccccc1)c1ccccc1)C
• 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: 8.967 ± 0.001 Å
• b: 9.16 ± 0.002 Å
• c: 15.71 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1290.4 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.0818
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No