Information card for entry 8100435

Structure parameters

• Formula: C4 H5 N3
• Calculated formula: C4 H5 N3
• SMILES: n1cnc(cc1)N
• Title of publication: Crystal structure of 4-aminopyrimidine, C~4~H~5~N~3~
• Authors of publication: Van Meervelt, Luc; Uytterhoeven, Koen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 481 - 482
• a: 10.983 ± 0.002 Å
• b: 12.287 ± 0.003 Å
• c: 14.052 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1896.3 ± 0.7 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No