Information card for entry 2207981

Structure parameters

• Chemical name: 5-Amino-1-[2-(diethylamino)ethyl]-1H-imidazole-4-carboxamide
• Formula: C10 H19 N5 O
• Calculated formula: C10 H19 N5 O
• SMILES: O=C(c1ncn(c1N)CCN(CC)CC)N
• Title of publication: 5-Amino-1-[2-(diethylamino)ethyl]-1<i>H</i>-imidazole-4-carboxamide
• Authors of publication: Raja Dey; Tapati Banerjee; Vratislav Langer; Sibdas Ray; Priyobroto Roychowdhury
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o814 - o816
• a: 14.2768 ± 0.0001 Å
• b: 5.9066 ± 0.0001 Å
• c: 14.6413 ± 0.0002 Å
• α: 90°
• β: 90.778 ± 0.001°
• γ: 90°
• Cell volume: 1234.55 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes