Information card for entry 1543485

Structure parameters

• Chemical name: 2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate
• Formula: C8 H13 N7 O2
• Calculated formula: C8 H13 N7 O2
• SMILES: O=C(NN)Cc1n2nc(nc2nc(c1)C)N.O
• Title of publication: 2-(2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetohydrazide monohydrate
• Authors of publication: Lahmidi, Sanae; Sebbar, Nada Kheira; Boulhaoua, Mohammed; Essassi, El Mokhtar; Mague, Joel T.; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160870
• a: 7.2648 ± 0.0003 Å
• b: 8.7228 ± 0.0004 Å
• c: 8.9297 ± 0.0004 Å
• α: 82.834 ± 0.002°
• β: 71.465 ± 0.002°
• γ: 85.478 ± 0.001°
• Cell volume: 531.86 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes