Boechat, N. and Ferreira, M.D.L.G. and Bastos, M.M. and Camilo, A.L.S. and Wardell, S.M.S.V. and Wardell, J.L. and Tiekink, E.R.T. (2010) Crystal and molecular structures of two triazole derivatives: 4-Cyclopropyl-4,5-dihydro-1H-1,2,3-triazole and Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate. Journal of Chemical Crystallography, 40 (12). pp. 1137-1141.
Full text not available from this repository.Abstract
The molecule in 4-cyclopropyl-4,5-dihydro-1H-1,2,3-triazole (I) is disposed about a mirror plane with the triazole ring lying in the plane and being orthogonal to the cyclopropyl ring. Considerable delocalization of pi-electron density within the triazole ring is indicated by the pattern of bond distances in (I). The molecule of methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate (II) adopts a curved shape with the dihedral angle formed between the triazole and benzene rings being 63.23(8)A degrees. By contrast to (I), localization of pi-electron density within the triazole ring in (II) is indicated. Both (I), via N-H center dot center dot center dot N hydrogen bonding, and (II), via C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions, associate in the solid state to form supramolecular chains. In (I), the chain is a zigzag with a flat topology, whereas in (II) the linear chain has a curved topology. Compound (I) crystallizes in the orthorhombic space group Pnma with a = 5.6470(2) angstrom, b = 7.3359(4) angstrom, c = 13.4404(7) angstrom, and Z = 4. Compound (II) crystallizes in the monoclinic space group P2(1)/c with a = 12.1314(5) angstrom, b = 5.5951(2) angstrom, c = 16.4339(7) angstrom, beta = 111.269(2)degrees, and Z = 4.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | Triazole; Hydrogen bonding; Conformation |
| Subjects: | Q Science > Q Science (General) |
| Depositing User: | Mr Faizal 2 |
| Date Deposited: | 12 Jan 2015 04:02 |
| Last Modified: | 12 Jan 2015 04:02 |
| URI: | http://eprints.um.edu.my/id/eprint/11866 |
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