Information card for entry 2220675

Structure parameters

• Chemical name: 3,3'-(2,2'-Bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanol
• Formula: C12 H18 N4 O2
• Calculated formula: C12 H18 N4 O2
• SMILES: OCCCn1ccnc1c1nccn1CCCO
• Title of publication: 3,3'-(2,2'-Bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanol
• Authors of publication: Zhang, Tao; Liang, Hong-Ze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o213 - o214
• a: 15.812 ± 0.003 Å
• b: 9.5961 ± 0.0019 Å
• c: 9.3194 ± 0.0019 Å
• α: 90°
• β: 119.44 ± 0.03°
• γ: 90°
• Cell volume: 1231.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes