Information card for entry 4507757

Structure parameters

• Chemical name: 2:1 cocrystal of Temzolomide and Saccharin
• Formula: C19 H17 N13 O7 S
• Calculated formula: C19 H17 N13 O7 S
• Title of publication: Temozolomide Cocrystals with Carboxamide Coformers
• Authors of publication: Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 2208
• a: 6.521 ± 0.003 Å
• b: 8.064 ± 0.004 Å
• c: 11.952 ± 0.005 Å
• α: 76.591 ± 0.007°
• β: 75.856 ± 0.007°
• γ: 87.095 ± 0.007°
• Cell volume: 592.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No