Information card for entry 4020912

Structure parameters

• Formula: C16 H10 N4 S
• Calculated formula: C16 H10 N4 S
• SMILES: s1nc2c(ccc(c2n1)c1ccncc1)c1ccncc1
• 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: 7.3213 ± 0.0003 Å
• b: 14.3519 ± 0.0005 Å
• c: 12.4801 ± 0.0006 Å
• α: 90°
• β: 90.206 ± 0.003°
• γ: 90°
• Cell volume: 1311.33 ± 0.09 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