Information card for entry 2108029

Structure parameters

• Common name: metformin hydrochloride
• Formula: C4 H12 Cl N5
• Calculated formula: C4 H12 Cl N5
• SMILES: [Cl-].CN(C)C(=NC(=[NH2+])N)N
• Title of publication: Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent
• Authors of publication: Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 10 - 22
• a: 7.9104 ± 0.0009 Å
• b: 13.8794 ± 0.0001 Å
• c: 7.931 ± 0.0001 Å
• α: 90°
• β: 114.606 ± 0.006°
• γ: 90°
• Cell volume: 791.69 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes