Information card for entry 2201403

Structure parameters

• Chemical name: 2,6-Bis(N,N'-benzotriazol-1-ylmethyl)pyridine
• Formula: C19 H15 N7
• Calculated formula: C19 H15 N7
• SMILES: n1c(cccc1Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
• Title of publication: 2,6-Bis(<i>N,N</i>'-benzotriazol-1-ylmethyl)pyridine
• Authors of publication: Selvanayagam, S.; Rajakannan, V.; Velmurugan, D.; Dhanasekaran, M.; Rajakumar, P.; Moon, Jib-Kim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1190 - o1192
• a: 14.5526 ± 0.0012 Å
• b: 7.9438 ± 0.0009 Å
• c: 14.2666 ± 0.0008 Å
• α: 90°
• β: 93.48 ± 0.006°
• γ: 90°
• Cell volume: 1646.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes