Information card for entry 8100793

Structure parameters

• Formula: C7 H8 N2 O
• Calculated formula: C7 H8 N2 O
• SMILES: O=C(N)c1ccc(nc1)C
• Title of publication: Crystal structure of 6-methylnicotinamide, C~7~H~8~N~2~O
• Authors of publication: Schlenker, Julie C.; Staples, Richard J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 555 - 556
• a: 8.8355 ± 0.0009 Å
• b: 7.4643 ± 0.0007 Å
• c: 10.4284 ± 0.001 Å
• α: 90°
• β: 99.202 ± 0.002°
• γ: 90°
• Cell volume: 678.91 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No