Information card for entry 2225800

Structure parameters

• Chemical name: 2-[(1<i>Z</i>)-(9-Ethyl-9<i>H</i>-carbazol-3-yl)methyleneamino]-4,5,6,7- tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1)
• Formula: C27 H24 N3 S
• Calculated formula: C27 H24 N3 S
• SMILES: c1ccccc1.N#Cc1c(/N=C/c2ccc3c(c2)c2ccccc2n3CC)sc2c1CCCC2
• Title of publication: 2-[(1<i>Z</i>)-(9-Ethyl-9<i>H</i>-carbazol-3-yl)methyleneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile–benzene (2/1)
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Asiri, Abdullah M.; Khan, Salman A.; Khan, Khalid A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1200 - o1201
• a: 11.4816 ± 0.0001 Å
• b: 13.7322 ± 0.0002 Å
• c: 14.8358 ± 0.0002 Å
• α: 81.841 ± 0.001°
• β: 77.083 ± 0.001°
• γ: 83.864 ± 0.001°
• Cell volume: 2250 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes