Information card for entry 7251495

Structure parameters

• Formula: C10 H11 F2 N O
• Calculated formula: C10 H11 F2 N O
• Title of publication: Investigation of noncovalent interactions in organofluorine compounds with C–F bonds in different electronic environments
• Authors of publication: Das, Prantika; Bhandary, Subhrajyoti; Mathew, Dona; Dutta, Arnab; Dhabhai, Kanu Priya; Seth, Saikat Kumar; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 1494 - 1507
• a: 5.1799 ± 0.0014 Å
• b: 9.618 ± 0.003 Å
• c: 10.442 ± 0.003 Å
• α: 81.822 ± 0.009°
• β: 80.772 ± 0.009°
• γ: 74.442 ± 0.009°
• Cell volume: 492 ± 0.2 ų
• Cell temperature: 94 ± 2 K
• Ambient diffraction temperature: 94 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No