Information card for entry 2244161

Structure parameters

• Common name: 2-[(Morpholin-4-yl)carbothioyl]-1<i>H</i>-1,3-benzodiazole
• Chemical name: (1<i>H</i>-Benzimidazol-2-yl)(morpholin-4-yl)methanethione
• Formula: C12 H13 N3 O S
• Calculated formula: C12 H13 N3 O S
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of (1<i>H</i>-benzimidazol-2-yl)(morpholin-4-yl)methanethione
• Authors of publication: Mutalliev, Lukmonjon Z.; Abdullaev, Sirojiddin; Pirnazarova, Nasiba; Obidova, Ibodat; Turgunov, Kambarali; Yakubov, Ubaydullo; Ashurov, Jamshid M.; Elmuradov, Burkhan Zh.; Mamadrakhimov, Azimjon A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• a: 8.1644 ± 0.0002 Å
• b: 15.9237 ± 0.0003 Å
• c: 9.6936 ± 0.0002 Å
• α: 90°
• β: 106.661 ± 0.002°
• γ: 90°
• Cell volume: 1207.33 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes