Information card for entry 7250984

Structure parameters

• Chemical name: N-(pyrimidin-2-yl)hexanamide
• Formula: C10 H15 N3 O
• Calculated formula: C10 H15 N3 O
• Title of publication: Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives
• Authors of publication: Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 43
• Pages of publication: 7000 - 7011
• a: 5.4877 ± 0.0001 Å
• b: 9.4348 ± 0.0003 Å
• c: 10.5745 ± 0.0003 Å
• α: 86.598 ± 0.002°
• β: 83.945 ± 0.002°
• γ: 76.146 ± 0.002°
• Cell volume: 528.28 ± 0.02 ų
• Cell temperature: 292.66 ± 0.13 K
• Ambient diffraction temperature: 292.66 ± 0.13 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No