Information card for entry 1547273

Structure parameters

• Common name: 2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile
• Chemical name: 2-(10-Octyl-10<i>H</i>-phenothiazin-3-ylmethylene)-malononitrile
• Formula: C24 H25 N3 S
• Calculated formula: C24 H25 N3 S
• SMILES: S1c2c(N(c3c1cccc3)CCCCCCCC)ccc(c2)C=C(C#N)C#N
• Title of publication: Synthesis and structural properties of 2-((10-alkyl-10H-phenothiazin-3-yl)methylene)malononitrile derivatives; a combined experimental and theoretical insight
• Authors of publication: Fatimah Ali Al-Zahrani; Muhammad Nadeem Arshad; Abdullah M. Asiri; Tariq Mahmood; Mazhar Amjad Gilani; Reda M. El-shishtawy
• Journal of publication: Chemistry Central Journal
• Year of publication: 2016
• Journal volume: 10
• Pages of publication: 13
• a: 16.4823 ± 0.0007 Å
• b: 16.9423 ± 0.0008 Å
• c: 17.6368 ± 0.0007 Å
• α: 106.027 ± 0.004°
• β: 110.499 ± 0.004°
• γ: 96.744 ± 0.004°
• Cell volume: 4306.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2263
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No