Information card for entry 2006422

Structure parameters

• Formula: C19 H31 N5 O2
• Calculated formula: C19 H30 N5 O1.5
• Title of publication: 4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate
• Authors of publication: Gunasekaran, K.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Rajendran, T. M.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1116 - 1117
• a: 34.25 ± 0.003 Å
• b: 9.134 ± 0.001 Å
• c: 13.819 ± 0.001 Å
• α: 90°
• β: 112.7 ± 0.1°
• γ: 90°
• Cell volume: 3988 ± 3 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.082
• Goodness-of-fit parameter for significantly intense reflections: 0.878
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No