Information card for entry 7226559

Structure parameters

• Formula: C24 H23 N3 S
• Calculated formula: C24 H23 N3 S
• SMILES: S1\C(=N/C2CCCCC2)\C(=N/c2ccc(C)cc2)c2c1nc1c(c2)cccc1
• Title of publication: The Synthesis of Iminothiophenone-Fused Quinolines and Evaluation of Their Serendipitous Reactions
• Authors of publication: Shiri, Morteza; Faghihi, Zeinab; Oskouei, Hossein A.; Heravi, Majid M.; Fazelzadeh, Shima; Notash, Behrouz
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.2893 ± 0.0019 Å
• b: 9.6941 ± 0.0019 Å
• c: 13.155 ± 0.003 Å
• α: 69 ± 0.03°
• β: 74.34 ± 0.03°
• γ: 73.14 ± 0.03°
• Cell volume: 1040 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1137
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No