Information card for entry 7227126

Structure parameters

• Formula: C13 H10 F2 N2
• Calculated formula: C13 H10 F2 N2
• Title of publication: Occurrence of 3D isostructurality in fluorinated phenyl benzamidines
• Authors of publication: Dey, Dhananjay; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 47
• a: 22.9004 ± 0.0012 Å
• b: 11.908 ± 0.0006 Å
• c: 8.2228 ± 0.0005 Å
• α: 90°
• β: 104.178 ± 0.003°
• γ: 90°
• Cell volume: 2174 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No