Information card for entry 2001021

Structure parameters

• Formula: C12 H7 F4 N3 O
• Calculated formula: C12 H7 F4 N3 O
• SMILES: O=C(Nc1c(F)c(F)nc(c1F)F)Nc1ccccc1
• Title of publication: Structure of <i>N</i>-(2,3,5,6-tetrafluoropyridyl)-<i>N</i>'-phenylurea
• Authors of publication: Yamaguchi, K.; Matsumura, G.; Haga, N.; Shudo, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 559 - 561
• a: 7.594 ± 0.001 Å
• b: 24.316 ± 0.004 Å
• c: 6.298 ± 0.004 Å
• α: 90°
• β: 96.47 ± 0.01°
• γ: 90°
• Cell volume: 1155.6 ± 0.8 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 1.5405 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No