Information card for entry 7060379

Structure parameters

• Formula: C16 H12 Cl N O2 S
• Calculated formula: C16 H12 Cl N O2 S
• Title of publication: Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes
• Authors of publication: Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4791 - 4801
• a: 8.923 ± 0.002 Å
• b: 9.1409 ± 0.0008 Å
• c: 17.8901 ± 0.0014 Å
• α: 90°
• β: 97.508 ± 0.01°
• γ: 90°
• Cell volume: 1446.7 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No