Information card for entry 2206853

Structure parameters

• Chemical name: 2-Formyl thymol oxime
• Formula: C11 H15 N O2
• Calculated formula: C11 H15 N O2
• SMILES: Oc1c(C=NO)c(C)ccc1C(C)C
• Title of publication: 2-Formylthymol oxime
• Authors of publication: Butcher, Ray J.; Bendre, Ratnamala S.; Kuwar, Anil S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3511 - o3513
• a: 8.8517 ± 0.0007 Å
• b: 9.0145 ± 0.0007 Å
• c: 13.5956 ± 0.001 Å
• α: 90°
• β: 101.698 ± 0.002°
• γ: 90°
• Cell volume: 1062.31 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes