Information card for entry 8100629

Structure parameters

• Formula: C10 H9 N5
• Calculated formula: C10 H9 N5
• SMILES: n1cnc2c(c1n1cccc1)ncn2C
• Title of publication: Crystal structure of 9-methyl-(6-N-pyrrolyl)purine, C~10~H~9~N~5~
• Authors of publication: Mrvoš-Sermek, D.; Cetina, M.; Krištafor, V.; Džolić, Z.; Mintas, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 273 - 274
• a: 11.053 ± 0.001 Å
• b: 10.231 ± 0.001 Å
• c: 16.639 ± 0.002 Å
• α: 90°
• β: 91.009 ± 0.007°
• γ: 90°
• Cell volume: 1881.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No