Information card for entry 2021308

Structure parameters

• Common name: Tolnaftate
• Chemical name: <i>O</i>-Naphthalen-2-yl <i>N</i>-methyl-<i>N</i>-(3-methylphenyl)carbamothioate
• Formula: C19 H17 N O S
• Calculated formula: C19 H17 N O S
• Title of publication: The solid-state conformation of the topical antifungal agent <i>O</i>-naphthalen-2-yl <i>N</i>-methyl-<i>N</i>-(3-methylphenyl)carbamothioate
• Authors of publication: Ho, Douglas M.; Zdilla, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 17.0498 ± 0.0011 Å
• b: 5.7778 ± 0.0004 Å
• c: 18.1012 ± 0.0011 Å
• α: 90°
• β: 117.359 ± 0.0012°
• γ: 90°
• Cell volume: 1583.7 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes