Information card for entry 8105215

Structure parameters

• Formula: C15 H16 Cl2 N4 O2
• Calculated formula: C15 H16 Cl2 N4 O2
• Title of publication: The crystal structure of (4SR)-7-(3,4-dichlorobenzyl)-4,8,8-trimethyl-7,8-dihydroimidazo[5,1c][1,2,4]triazine-3,6(2H,4H)-dione, C15H16Cl2N4O2
• Authors of publication: Tzvetkov, Nikolay T.; Peeva, Martina I.; Tsakovska, Ivanka; Milella, Luigi; Pajeva, Ilza; Stammler, Hans-Georg
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 319 - 321
• a: 26.2014 ± 0.0007 Å
• b: 7.5932 ± 0.0001 Å
• c: 17.9766 ± 0.0004 Å
• α: 90°
• β: 109.217 ± 0.003°
• γ: 90°
• Cell volume: 3377.2 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No