Information card for entry 2224499

Structure parameters

• Chemical name: 1,4-Bis{3-[4-(dimethylamino)benzylideneamino]propyl}piperazine
• Formula: C28 H42 N6
• Calculated formula: C28 H42 N6
• SMILES: CN(c1ccc(cc1)/C=N/CCCN1CCN(CC1)CCC/N=C/c1ccc(cc1)N(C)C)C
• Title of publication: 1,4-Bis{3-[4-(dimethylamino)benzylideneamino]propyl}piperazine
• Authors of publication: Xu, Rui-Bo; Xu, Xing-You; Wang, Da-Qi; Yang, Xu-Jie; Li, Shuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2997
• a: 17.599 ± 0.002 Å
• b: 6.4146 ± 0.0012 Å
• c: 12.6643 ± 0.0018 Å
• α: 90°
• β: 105.921 ± 0.003°
• γ: 90°
• Cell volume: 1374.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1938
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2772
• Weighted residual factors for all reflections included in the refinement: 0.2982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes