Information card for entry 2243096

Structure parameters

• Chemical name: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)\ benzamide
• Formula: C18 H18 F2 N2 O3
• Calculated formula: C18 H18 F2 N2 O3
• SMILES: C1(CC1)COc1cc(ccc1OC(F)F)C(=O)NCc1ccccn1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)benzamide
• Authors of publication: Artheswari, G.; Maheshwaran, V.; Gautham, N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1515 - 1518
• a: 13.4775 ± 0.0012 Å
• b: 28.026 ± 0.003 Å
• c: 9.1085 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3440.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes