Information card for entry 7242216

Structure parameters

• Chemical name: o-cresol_urea
• Formula: C8 H12 N2 O2
• Calculated formula: C8 H12 N2 O2
• Title of publication: A selective cocrystallization separation method based on non-covalent interactions and its application
• Authors of publication: Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 7
• Pages of publication: 1550 - 1554
• a: 7.4001 ± 0.0001 Å
• b: 26.1446 ± 0.0006 Å
• c: 10.7253 ± 0.0002 Å
• α: 90°
• β: 93.977 ± 0.001°
• γ: 90°
• Cell volume: 2070.06 ± 0.07 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No