Abstract
The crystal structure of title compound has been determined. The compound crystallizes in the triclinic system with space group P-1, lattice parameters; a = 9.2938 (5) Å, b = 11.9992 (7) Å, c = 25.5918 (13) Å, α = 91.343 (2)°, β = 95.8360 (10)°, γ = 101.005 (2)°, V = 2784.3 (3) Å3, Z = 4, X-Ray analysis reveals that the molecular backbone consists of tricyclic system with the central seven-membered ring in twisted chair-like conformation.
Graphical abstract
The crystal structure of 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzo[b][1,2,4]oxadiazolo[4,5-d][1,4]thiazepine was first determined by single-crystal X-ray diffraction which reveals that the molecular backbone consists of a tricyclic system with the central seven-membered ring in twisted chair-like conformation .
Similar content being viewed by others
References
Chaffman M, Brogden RN (1985) Drugs 29:387
Slade J, Stanton JL, Ben-David D, Mazzenga GC (1985) J Med Chem 28:1517
Bock MG, Dipardo RM, Evans BE, Rittle KE et al (1989) J Med Chem 32:13
Nahed K (1991) Eur Pat Appl, EP430, 036/1991 cited in Chem Abstr 115:198519f
Kantoci D, Murray ED, Quiggle DD, Wechter WJ (1996) J Med Chem 39:1196–1200
Stephens WD, Field L (1959) J Org Chem 24:1576
Pant UC, Chugh M, Pant S, Modwel C (1992) J Indian Chem Soc 69:342
Pant UC, Chugh M, Pant S, Modwel C (1991) J Indian Chem Soc 68:418
Wu C-z, Huang J-x, Zhang Q-h, Xu J-x (2006) [J] Chem Res Chinese U 22(1):36–39
Xu J-X, Wu H-T, Jin S (1999) [J] Chin J Chem 17(1):84–91
Fang-Ming LIU, Bao-Lei WANG, Yan-Pin LI (2002) Chem J Chin Universities 23:2079
Sheldrick GM (1997) SHELXS97, Program for crystal structure refinement. University of Gottingen, Germany
Pauling L (1960) The nature of chemical bond, 3rd edn. Cornell University Press, pp 300, 305–306
Acknowledgements
The authors gratefully acknowledge support from the College of Materials and Chemical Engineering, Hangzhou Normal University and Silicone key laboratories.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Yang, DB., Liu, FM., Xu, F. et al. Synthesis and Crystal Structure of Compound 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzo[b][1,2,4]oxadiazolo[4,5-d][1,4]thiazepine. J Chem Crystallogr 38, 97–101 (2008). https://doi.org/10.1007/s10870-007-9269-7
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10870-007-9269-7