Conformations and structure of N-(2-flurobenzoyl)-N′-4-tolylthiourea

Acta Chimica Sinica

Volumn 62, Issue 16, 2004, Pages 1472-1476

  Zhou, Wei Qun ^a,b   Lu, Lu De ^a   Yang, Xu Jie ^a   Cao, Yang ^b  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SOOCHOW UNIVERSITY   (China)

Author keywords

Benzoylthiourea; Conformation; Crystal structure; DFT; Intramolecular H bond

Indexed keywords

EID: 33750491301     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (8)

1. Koch, K. R.; Sacht, C.; Bourne, S. Inorg. Chim. Acta 1995, 232.
2. Dago, A.; Shepelev, Y.; Fajardo, F.; Alvarez, F.; Pomés, R. Acta Crystallogr. 1989, C45, 1192.
3. Zhang, D. C.; Zhang, Y. Q.; Cao, Y.; Zhao, B. Acta Crystallogr. 1996, C52, 1716.
4. Cao, Y.; Zhao, B.; Zhang, Y. Q.; Zhang, D. C. Acta Crystallogr. 1996, C52, 1772.
5. Wang, J.-T.; Yuan, Y.-F.; Xu, Y.-M.; Zhang, Y.-W.; Wang, R.-J.; Wang, H.-G. Acta Chim. Sinica 1996, 54(1), 32 (in Chinese).
6. Hehre, W. J.; Radom, L.; Schleyer, P. R.; Pople, J. A. Ab initio Molecular Orbital Theory, Wiley, New York, 1986.
7. Foresman, J. B.; Frisch, A. Exploring Chemistry with Electronic Structure Methods, 2nd ed., Gaussian Inc, Pittsburg, PA, 1996.
8. Ruud, K.; Helgaker, T.; Kobayashi, R.; Jorgensen, P.; Bak, K. L.; Jensen, H. J. A. J. Chem. Phys. 1994, 100, 8178.