Information card for entry 2009770

Structure parameters

• Formula: C18 H29 N5 O3
• Calculated formula: C18 H28 N5 O3
• SMILES: c1(c(cc(cc1CN1CCN(CC1)C)N(=O)=O)CN1CCN(CC1)C)O
• Title of publication: 2,6-Bis[(4-methyl-1-piperazinyl)methyl]-4-nitrophenol
• Authors of publication: Velmurugan, D.; Govindasamy, L.; Subramanian, E.; Rajendran, T.M.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 931 - 933
• a: 9.369 ± 0.001 Å
• b: 10.762 ± 0.003 Å
• c: 11.51 ± 0.001 Å
• α: 76.31 ± 0.01°
• β: 72.18 ± 0.01°
• γ: 64.14 ± 0.02°
• Cell volume: 987 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for significantly intense reflections: 0.574
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No