Information card for entry 2011259

Structure parameters

• Chemical name: 3,6-Bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: O=C1N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H]1Cc1ccc(cc1)O
• Title of publication: 3,6-Bis(4-hydroxybenzyl)piperazine-2,5-dione
• Authors of publication: Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Chen, Zhen-Feng; Zhang, Jing; Xiong, Ren-Gen; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e341 - e342
• a: 16.259 ± 0.0006 Å
• b: 8.0575 ± 0.0002 Å
• c: 14.7794 ± 0.0006 Å
• α: 90°
• β: 121.967 ± 0.002°
• γ: 90°
• Cell volume: 1642.58 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes