Information card for entry 8106566

Structure parameters

• Formula: C13 H9 N3 S
• Calculated formula: C13 H9 N3 S
• Title of publication: Crystal structure of 2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)malononitrile, C13H9N3S
• Authors of publication: Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 451 - 452
• a: 8.5468 ± 0.0004 Å
• b: 7.0166 ± 0.0004 Å
• c: 10.3407 ± 0.0005 Å
• α: 90°
• β: 106.225 ± 0.002°
• γ: 90°
• Cell volume: 595.43 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No