Information card for entry 7242837

Structure parameters

• Formula: C16 H16 F2 N2
• Calculated formula: C16 H16 F2 N2
• Title of publication: Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations
• Authors of publication: Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 4459 - 4474
• a: 16.4415 ± 0.0004 Å
• b: 11.6143 ± 0.0003 Å
• c: 16.8425 ± 0.0004 Å
• α: 90°
• β: 118.923 ± 0.001°
• γ: 90°
• Cell volume: 2815.03 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No