Information card for entry 2101522

Structure parameters

• Formula: C11 H11 Cl2 N3 O3
• Calculated formula: C11 H11 Cl2 N3 O3
• Title of publication: Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
• Authors of publication: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 487 - 499
• a: 6.1501 ± 0.0004 Å
• b: 8.3787 ± 0.0004 Å
• c: 13.7356 ± 0.001 Å
• α: 107.407 ± 0.005°
• β: 99.304 ± 0.006°
• γ: 95.032 ± 0.004°
• Cell volume: 659.5 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1276
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No