Information card for entry 7212233

Structure parameters

• Formula: C11 H10 N4
• Calculated formula: C11 H10 N4
• SMILES: n1ccc(N/C=N/c2ccncc2)cc1
• Title of publication: Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer
• Authors of publication: Petitjean, Anne; Xing, Liyan; Wang, Ruiyao
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1397
• a: 11.7861 ± 0.0005 Å
• b: 7.229 ± 0.0003 Å
• c: 23.2069 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1977.27 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No