Information card for entry 4506730

Structure parameters

• Formula: C12 H10 N2
• Calculated formula: C12 H8 N2
• SMILES: c12ccccc1nc1ccccc1n2
• Title of publication: Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin
• Authors of publication: Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 5897
• a: 7.072 ± 0.013 Å
• b: 5.1 ± 0.01 Å
• c: 13.13 ± 0.03 Å
• α: 90°
• β: 109.18 ± 0.05°
• γ: 90°
• Cell volume: 447.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.4041
• Residual factor for significantly intense reflections: 0.2678
• Weighted residual factors for significantly intense reflections: 0.5825
• Weighted residual factors for all reflections included in the refinement: 0.684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No