Information card for entry 2000775

Structure parameters

• Formula: C14 H10 F3 N3 O2 S
• Calculated formula: C14 H10 F3 N3 O2 S
• SMILES: O=C(c1ccncc1)N/N=C(C(F)(F)F)\CC(=O)c1cccs1
• Title of publication: Structure of 2-thionyltrifluoroacetone isonicotinyl hydrazone
• Authors of publication: Wang, X.; Deng, R.; Wu, J.; Chen, Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1295 - 1297
• a: 8.604 ± 0.002 Å
• b: 14.29 ± 0.004 Å
• c: 24.924 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3064.4 ± 1.2 ų
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P b c a
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No