Information card for entry 7207569

Structure parameters

• Formula: C16 H18 N6 O6
• Calculated formula: C16 H18 N6 O6
• SMILES: C(=O)(c1ccncc1)NN.C(=O)(/C=C/C(=O)O)O.C(=O)(c1ccncc1)NN
• Title of publication: Fast dissolving eutectic compositions of two anti-tubercular drugs
• Authors of publication: Cherukuvada, Suryanarayan; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2579
• a: 8.1339 ± 0.0003 Å
• b: 8.7424 ± 0.0004 Å
• c: 12.4779 ± 0.0005 Å
• α: 90°
• β: 96.933 ± 0.004°
• γ: 90°
• Cell volume: 880.81 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No