Information card for entry 2008265

Structure parameters

• Common name: 6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one
• Chemical name: 6-[N-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one
• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• SMILES: Oc1ccccc1/[NH+]=C/c1ccccc1[O-]
• Title of publication: 6-[<i>N</i>-(2-Hydroxyphenyl)aminomethylene]cyclohexa-2,4-dien-1-one
• Authors of publication: Alok K. Mukherjee; Rajib Lal De; Indrajit Banerjee; Chitra Samanta; Nirmalya P. Nayak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 407 - 410
• a: 9.034 ± 0.002 Å
• b: 10.155 ± 0.001 Å
• c: 12.368 ± 0.002 Å
• α: 110.35 ± 0.01°
• β: 89.9 ± 0.02°
• γ: 103.02 ± 0.01°
• Cell volume: 1032.8 ± 0.3 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: 0.0574
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1316
• Weighted residual factors for significantly intense reflections: 0.1248
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No