Information card for entry 4020911

Structure parameters

• Formula: C16 H10 N4 S
• Calculated formula: C16 H10 N4 S
• SMILES: s1nc2c(ccc(c2n1)c1cnccc1)c1cnccc1
• Title of publication: Synthesis and Characterization of Novel Dipyridylbenzothiadiazole and Bisbenzothiadiazole Derivatives
• Authors of publication: Md. Akhtaruzzaman; Masaaki Tomura; Jun-ichi Nishida; Yoshiro Yamashita
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2953 - 2958
• a: 3.8113 ± 0.0013 Å
• b: 24.552 ± 0.006 Å
• c: 14.056 ± 0.005 Å
• α: 90°
• β: 94.123 ± 0.011°
• γ: 90°
• Cell volume: 1311.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No