Information card for entry 4020626

Structure parameters

• Formula: C14 H12 Cl N3 O2 S2
• Calculated formula: C14 H12 Cl N3 O2 S2
• SMILES: [s]1[s]nc2c1c(Cl)c(Nc1c(N)cccc1)c2C(=O)OCC
• Title of publication: From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials
• Authors of publication: Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9314 - 9325
• a: 13.913 ± 0.006 Å
• b: 8.713 ± 0.004 Å
• c: 26.063 ± 0.012 Å
• α: 90°
• β: 102.622 ± 0.009°
• γ: 90°
• Cell volume: 3083 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No