Information card for entry 7218159

Structure parameters

• Formula: C23 H22 Cl N4 O6 S
• Calculated formula: C23 H22 Cl N4 O6 S
• Title of publication: A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide
• Authors of publication: Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 9979
• a: 6.751 ± 0.0005 Å
• b: 9.5719 ± 0.0006 Å
• c: 18.6178 ± 0.0013 Å
• α: 84.977 ± 0.004°
• β: 89.783 ± 0.004°
• γ: 73.488 ± 0.004°
• Cell volume: 1148.76 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9645
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No