Information card for entry 1518746

Structure parameters

• Formula: C19 H33 N5 O2
• Calculated formula: C19 N5 O2
• SMILES: OCCN1CCN(CC1)Cc1nc(ccc1)CN1CCN(CC1)CCO
• Title of publication: Preparation, Characterization and Complexation of 4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene and 2,6-Di{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine
• Authors of publication: Hietapelto, Vesa; Huuskonen, Juhani; Laitinen, Risto S.; Leppa-aho, Jaakko; Pursiainen, Jouni
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 194 - 201
• a: 9.998 ± 0.002 Å
• b: 15.476 ± 0.003 Å
• c: 12.957 ± 0.003 Å
• α: 90°
• β: 92.64 ± 0.02°
• γ: 90°
• Cell volume: 2002.7 ± 0.7 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No