Information card for entry 7124026

Structure parameters

• Chemical name: Isoniazid-DL-tartaric acid salt
• Formula: C10 H13 N3 O7
• Calculated formula: C10 H13 N3 O7
• Title of publication: Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate
• Authors of publication: Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.409 ± 0.002 Å
• b: 7.1753 ± 0.0014 Å
• c: 14.653 ± 0.003 Å
• α: 90°
• β: 113.098 ± 0.01°
• γ: 90°
• Cell volume: 1200.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No