Information card for entry 2239183

Structure parameters

• Common name: (4-Methylpiperazin-1-yl)-(2,3,4-trimethoxybenzylidene)amine
• Chemical name: (4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine
• Formula: C15 H23 N3 O3
• Calculated formula: C15 H23 N3 O3
• SMILES: COc1c(/C=N/N2CCN(CC2)C)ccc(c1OC)OC
• Title of publication: (4-Methylpiperazin-1-yl)(2,3,4-trimethoxybenzylidene)amine
• Authors of publication: Kavitha, Channappa N.; Jasinski, Jerry P.; Kaur, Manpreet; Yathirajan, H.S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o500
• a: 7.84207 ± 0.00014 Å
• b: 14.2305 ± 0.0003 Å
• c: 27.6218 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3082.5 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes