Information card for entry 7218160

Structure parameters

• Formula: C24 H24 Cl N4 O6 S
• Calculated formula: C24 H24 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: 7.3972 ± 0.0007 Å
• b: 9.3373 ± 0.0008 Å
• c: 18.1141 ± 0.0016 Å
• α: 80.504 ± 0.004°
• β: 82.039 ± 0.004°
• γ: 75.173 ± 0.004°
• Cell volume: 1186.81 ± 0.19 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: 0.06
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No