Information card for entry 7242798

Structure parameters

• Chemical name: Atrazine fumaric acid cocrystal
• Formula: C10 H16.22 Cl N5 O2.11
• Calculated formula: C10 H16.22 Cl N5 O2.11
• Title of publication: Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility
• Authors of publication: da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 4252 - 4263
• a: 18.892 ± 0.004 Å
• b: 6.2547 ± 0.0015 Å
• c: 24.173 ± 0.006 Å
• α: 90°
• β: 104.589 ± 0.004°
• γ: 90°
• Cell volume: 2764.3 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No