Information card for entry 7053042

Structure parameters

• Chemical name: 3-Thiophen-2-yl-1,2,4-triazine
• Formula: C7 H5 N3 S
• Calculated formula: C7 H5 N3 S
• Title of publication: Synthesis, photophysics and electrochemistry of novel, nitrogen-containing heterocyclic derivatives
• Authors of publication: Branowska, Danuta; Chaciak, Bartosz; Siuchta, Olga; Olender, Ewa; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw; Poronik, Eugenij; Wysocki, Waldemar; Karczmarzyk, Zbigniew; Skora, Lukasz; Filapek, Michał; Krompiec, Stanislaw; Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 7
• Pages of publication: 1982
• a: 5.565 ± 0.0005 Å
• b: 13.292 ± 0.0016 Å
• c: 10.0843 ± 0.0012 Å
• α: 90°
• β: 96.248 ± 0.009°
• γ: 90°
• Cell volume: 741.5 ± 0.14 ų
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No