Information card for entry 4020625

Structure parameters

• Formula: C10 H6 Cl3 N O2 S
• Calculated formula: C10 H6 Cl3 N O2 S
• SMILES: s1nc2c(Cl)c(Cl)c(Cl)c2cc1C(=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: 5.6712 ± 0.0007 Å
• b: 8.6976 ± 0.0011 Å
• c: 12.308 ± 0.0015 Å
• α: 96.964 ± 0.002°
• β: 90.165 ± 0.003°
• γ: 90.255 ± 0.003°
• Cell volume: 602.61 ± 0.13 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No