Information card for entry 2101938

Structure parameters

• Chemical name: 1-(1-naphthyl)-4-methylpiperazine maleate
• Formula: C19 H22 N2 O4
• Calculated formula: C19 H22 N2 O4
• SMILES: N1(c2c3c(ccc2)cccc3)CC[NH+](CC1)C.[O-]C(=O)/C=C\C(=O)O
• Title of publication: Structure and Serotonin 5-HT~2C~ Receptor Activity of <i>ortho</i>- and <i>meta</i>-Substituted Phenylpiperazines
• Authors of publication: Verdonk, M. L.; Voogd, J. W.; Kanters, J. A.; Kroon, J.; den Besten, R.; Brandsma, L.; Leysen, D.; Kelder, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 976 - 983
• a: 10.8834 ± 0.0012 Å
• b: 11.2355 ± 0.001 Å
• c: 14.743 ± 0.002 Å
• α: 90°
• β: 104.295 ± 0.008°
• γ: 90°
• Cell volume: 1747 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1988
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.1029
• Goodness-of-fit parameter for all reflections: 0.83
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No