Information card for entry 7200757

Structure parameters

• Common name: Form I of 1:1 cocrystal of ethenzamide and saccharin
• Chemical name: Form I of 1:1 cocrystal of ethenzamide and saccharin
• Formula: C16 H16 N2 O5 S
• Calculated formula: C16 H16 N2 O5 S
• SMILES: S1(=O)(=O)NC(=O)c2c1cccc2.O=C(N)c1ccccc1OCC
• Title of publication: Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph
• Authors of publication: Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 889
• a: 7.2141 ± 0.0014 Å
• b: 7.4923 ± 0.0015 Å
• c: 15.456 ± 0.003 Å
• α: 85.14 ± 0.03°
• β: 86.43 ± 0.03°
• γ: 70.65 ± 0.03°
• Cell volume: 784.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No