Information card for entry 7241672

Structure parameters

• Formula: C10 H10 N4
• Calculated formula: C10 H10 N4
• SMILES: c1cccc(CNc2ncccn2)n1
• Title of publication: Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals
• Authors of publication: Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 66
• Pages of publication: 40421 - 40427
• a: 16.8629 ± 0.0017 Å
• b: 7.7228 ± 0.0007 Å
• c: 14.8431 ± 0.0014 Å
• α: 90°
• β: 104.655 ± 0.003°
• γ: 90°
• Cell volume: 1870.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No