Information card for entry 7245547

Structure parameters

• Chemical name: Metamitron-Cinnamic acid
• Formula: C19 H18 N4 O3
• Calculated formula: C19 H18 N4 O3
• Title of publication: Cocrystal engineering strategy for sustained release and leaching reduction of herbicides: a case study of metamitron
• Authors of publication: Xiao, Yuntian; Wu, Chuanhua; Zhou, Ling; Yin, Qiuxiang; Yang, Jingxiang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 8088 - 8099
• a: 9.5056 ± 0.0005 Å
• b: 28.8708 ± 0.0009 Å
• c: 13.6219 ± 0.0008 Å
• α: 90°
• β: 114.812 ± 0.005°
• γ: 90°
• Cell volume: 3393.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 123.15 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: 0.0756
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No