Information card for entry 4020624

Structure parameters

• Formula: C8 H4 Cl2 N2 S2
• Calculated formula: C8 H4 Cl2 N2 S2
• SMILES: Clc1c(c2nssc2c1Cl)CCC#N
• 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: 5.699 ± 0.004 Å
• b: 11.841 ± 0.007 Å
• c: 16.163 ± 0.011 Å
• α: 72.666 ± 0.013°
• β: 89.879 ± 0.012°
• γ: 88.608 ± 0.015°
• Cell volume: 1040.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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