Information card for entry 1101070

Structure parameters

• Common name: Creatine monohydrate
• Formula: C4 H11 N3 O3
• Calculated formula: C4 H11 N3 O3
• SMILES: C(=[NH2+])(N)N(C)CC(=O)[O-].O
• Authors of publication: C.S.Frampton; C.C.Wilson; N.Shankland; A.J.Florence
• Journal of publication: J.Chem.Soc.,Faraday Trans.
• Year of publication: 1997
• Journal volume: 93
• Pages of publication: 1875
• a: 12.492 ± 0.004 Å
• b: 4.967 ± 0.001 Å
• c: 12.051 ± 0.004 Å
• α: 90°
• β: 109.1 ± 0.02°
• γ: 90°
• Cell volume: 706.574 ų
• Ambient diffraction temperature: 20 K
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No