Information card for entry 7058096

Structure parameters

• Formula: C12 H13 N3 O3
• Calculated formula: C12 H13 N3 O3
• Title of publication: Photochromic and molecular switching behaviour of new Schiff bases containing hydantoin rings: synthesis, characterization and crystal structures
• Authors of publication: Todorov, Petar T.; Peneva, Petia N.; Georgieva, Stela I.; Rusew, Rusi I.; Shivachev, Boris L.; Georgiev, Anton H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2740
• a: 21.3276 ± 0.0008 Å
• b: 5.821 ± 0.0003 Å
• c: 20.1338 ± 0.0009 Å
• α: 90°
• β: 100.475 ± 0.004°
• γ: 90°
• Cell volume: 2457.91 ± 0.19 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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: 0.0822
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No