Information card for entry 8100000

Structure parameters

• Formula: C10 H15 N3 O
• Calculated formula: C10 H12 N3 O
• SMILES: n1ccc(cc1)c1c([nH]nc1C)C.O
• Title of publication: Crystal structure of 4-(4-pyridil)-3,5-dimethylpyrozole hydrate, (C~5~H~4~N)CH~3~(C~3~N~2~H)CH~3~ · H~2~O
• Authors of publication: Li, Hui; Jin, Qiong-Hua; Yu, Shu-Yan; Ma, Hong-Wei; Li, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 13 - 14
• a: 7.4748 ± 0.0015 Å
• b: 9.1706 ± 0.0018 Å
• c: 15.536 ± 0.003 Å
• α: 80.88 ± 0.03°
• β: 89.91 ± 0.03°
• γ: 81.24 ± 0.03°
• Cell volume: 1039 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No