Information card for entry 1101068

Structure parameters

• Formula: C4 H11 N3 O3
• Calculated formula: C4 H11 N3 O3
• SMILES: C(=[NH2+])(N)N(C)CC(=O)[O-].O
• Title of publication: The crystal structure of creatine monohydrate
• Authors of publication: Jensen, L. H.
• Journal of publication: Acta Crystallographica
• Year of publication: 1955
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 237 - 240
• a: 12.52 Å
• b: 5.03 Å
• c: 12.18 Å
• α: 90°
• β: 108.8°
• γ: 90°
• Cell volume: 726.121 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Duplicate of: 5000026
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No