Information card for entry 2235789

Structure parameters

• Chemical name: (1<i>S</i>,2<i>R</i>)-1-[(<i>E</i>)-(Thiophen-2-ylmethylidene)amino]indan-2-ol
• Formula: C14 H13 N O S
• Calculated formula: C14 H13 N O S
• SMILES: O[C@H]1[C@H](c2c(C1)cccc2)/N=C/c1sccc1
• Title of publication: (1<i>S</i>,2<i>R</i>)-1-[(<i>E</i>)-(Thiophen-2-ylmethylidene)amino]indan-2-ol
• Authors of publication: Go, Min Jeong; Park, Ka Hyun; Lee, Hwi Hyun; Lee, Junseong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2568
• a: 5.864 ± 0.0002 Å
• b: 13.4454 ± 0.0005 Å
• c: 8.0118 ± 0.0003 Å
• α: 90°
• β: 92.258 ± 0.002°
• γ: 90°
• Cell volume: 631.19 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes