Information card for entry 8105174

Structure parameters

• Formula: C18 H19 N5
• Calculated formula: C18 H19 N5
• SMILES: C(c1n(c2ccccc2n1)C)NCc1n(c2c(cccc2)n1)C
• Title of publication: Crystal structure of bis((1-methylbenzimidazol-2-yl)methyl)amine, C18H19N5
• Authors of publication: Gaoxiang, Meng; Yang, Yongming; Li, Qiang; Li, Zhou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 191 - 193
• a: 6.612 ± 0.004 Å
• b: 8.8 ± 0.005 Å
• c: 13.777 ± 0.008 Å
• α: 83.219 ± 0.007°
• β: 79.329 ± 0.006°
• γ: 78.744 ± 0.006°
• Cell volume: 769.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No