Information card for entry 8106451

Structure parameters

• Formula: C23 H26 N2 O3
• Calculated formula: C23 H26 N2 O3
• SMILES: O=C1c2c(C/C1=C\c1cc(c(O)c(OC)c1)CN1CCN(CC1)C)cccc2
• Title of publication: Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3
• Authors of publication: Tugrak, Mehtap; Aydin, Abdullah; Gul, Halise Inci; Sahin, Ertan; Akkurt, Mehmet
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 113 - 115
• a: 10.6646 ± 0.0019 Å
• b: 10.7784 ± 0.0017 Å
• c: 11.15 ± 0.002 Å
• α: 67.787 ± 0.007°
• β: 64.309 ± 0.007°
• γ: 64.271 ± 0.007°
• Cell volume: 1011.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1002
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No