Information card for entry 7251946

Structure parameters

• Common name: isovaleramide
• Chemical name: 3-methylbutyramide
• Formula: C5 H11 N O
• Calculated formula: C5 H11 N O
• Title of publication: Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides
• Authors of publication: Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 2648 - 2657
• a: 22.649 ± 0.015 Å
• b: 6.262 ± 0.004 Å
• c: 9.768 ± 0.006 Å
• α: 90°
• β: 100.597 ± 0.009°
• γ: 90°
• Cell volume: 1361.7 ± 1.5 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215.15 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: 0.1108
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No