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. 2008 Nov 20;64(Pt 12):o2402-3.
doi: 10.1107/S1600536808037914.

Ethyl 1-[(2-chloro-1,3-thia-zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

Xiao-Bao Chen, Feng-Mei Sun, Jing Xu, Zuan Ma, Ai-Hua Zheng

Ethyl 1-[(2-chloro-1,3-thia-zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

Xiao-Bao Chen et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(10)H(11)ClN(4)O(2)S, the triazole ring carries methyl and ethoxy-carbonyl groups and is bound via a methyl-ene bridge to a chloro-thia-zole unit. There is also evidence for significant electron delocalization in the triazolyl system. Intra- and inter-molecular C-H⋯O hydrogen bonds together with strong π-π stacking inter-actions [centroid-centroid distance 3.620 (1) Å] stabilize the structure.

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Figures

Fig. 1.
Fig. 1.
View of the molecular structure of (I), showing the atom labelling scheme and with displacement ellipsoids drawn at the 50% probability level.
Fig. 2.
Fig. 2.
A partial view of the crystal packing of (I), showing the formation of C—H···O hydrogen-bonding interactions (dashed lines).
See this image and copyright information in PMC

References

    1. Abu-Orabi, S. T., Alfah, M. A., Jibril, I., Mari’i, F. M. & Ali, A. A. S. (1989). J. Heterocycl. Chem 26, 1461–1468.
    1. Bruker (2000). SMART and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Chen, W., Chen, Q., Wu, Q. Y. & Yang, G. F. (2005). Chin. J. Org. Chem.25, 1477–1481.
    1. Chen, X. B. & Shi, D. Q. (2008). Phosphorus Sulfur Silicon Relat. Elem.183, 1134–1144.
    1. Chen, X. B., Shi, D. Q. & Zhu, X. F. (2007). Chin. J. Chem.25, 1854–1858.