Information card for entry 7207568

Structure parameters

• Formula: C16 H18 N6 O6
• Calculated formula: C16 H18 N6 O6
• SMILES: C(=O)(c1cc[nH+]cc1)NN.C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(c1cc[nH+]cc1)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: 7.883 ± 0.002 Å
• b: 8.697 ± 0.003 Å
• c: 12.506 ± 0.004 Å
• α: 90°
• β: 97.74 ± 0.03°
• γ: 90°
• Cell volume: 849.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No