Information card for entry 7238495

Structure parameters

• Formula: C10 H10 N O3
• Calculated formula: C10 H10 N O3
• Title of publication: A cocrystal strategy for the precipitation of liquid 2,3-dimethyl pyrazine with hydroxyl substituted benzoic acid and a Hirshfeld surfaces analysis of them
• Authors of publication: Luo, Yang-Hui; Zhang, Chen-Guang; Xu, Bing; Sun, Bai-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6860
• a: 10.875 ± 0.004 Å
• b: 13.254 ± 0.003 Å
• c: 14.054 ± 0.003 Å
• α: 90°
• β: 109.04 ± 0.04°
• γ: 90°
• Cell volume: 1914.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1779
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No