Information card for entry 8104865

Structure parameters

• Common name: 2-methyl-β-naphthothiazole
• Chemical name: 2-methyl-β-naphthothiazole
• Formula: C12 H9 N S
• Calculated formula: C12 H9 N S
• Title of publication: The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 483 - 485
• a: 5.0743 ± 0.0005 Å
• b: 14.0545 ± 0.0013 Å
• c: 13.3319 ± 0.0017 Å
• α: 90°
• β: 91.102 ± 0.005°
• γ: 90°
• Cell volume: 950.61 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No