Information card for entry 7060378

Structure parameters

• Common name: JK77C - Naphthyl-SO2-NH-C6H3(2-Me)(4-COOH)
• Formula: C18 H15 N O4 S
• Calculated formula: C18 H15 N O4 S
• SMILES: S(=O)(=O)(c1c2ccccc2ccc1)Nc1c(cc(cc1)C(=O)O)C
• 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: 14.6257 ± 0.0009 Å
• b: 14.7988 ± 0.001 Å
• c: 15.0858 ± 0.001 Å
• α: 90°
• β: 101.281 ± 0.004°
• γ: 90°
• Cell volume: 3202.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No