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Synthesis, spectroscopic and crystal structure analysis of a compound with pharmocophoric substituent: 2-cyclohexyl-6-(2-oxo-2H-chromen-3-yl)- imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

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Imidazo[2,1-b][1,3,4] thiadiazole derivatives are significant for their various pharmacological properties. This paper reports the synthesis and structure of one of them, 2-cyclohexyl-6-(2-oxo-2H-chromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde. The compound crystallizes in the monoclinic space group P21/c with a=17.316(3)Å, b=6.5420(9)Å, c =17.056(3)Å, β=112.909(2)°, V=1779.7(4)Å3, z=4. The, Imidazo[2,1-b][1,3,4] thiadiazole and the coumarin ring systems are each planar but inclined at an angle of 48.14(2)° towards each other. The crystal structure is stabilized by C–H … O interactions.

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Acknowledgments

N. S. B thanks UGC-DRS for financial support D. E. V thanks UGC–FIP for the Teacher fellowship. The authors thank the Department of Science and Technology, India, for data collection on the CCD facility set up under the IRHPA-DST program.

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Correspondence to Noor Shahina Begum.

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CCDC 271066 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge at www.ccdc.com.ac.uk/conts/retrieving.html or from the Cambridge Crystallographic Data Centre(CCDC), 12 Union Road, Cambridge CB2 1BZ. UK: fax: +44(0)1223.336033: e-mail: deposit@ccdc.com.ac.uk.

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Begum, N.S., Vasundhara, D.E., Girija, C.R. et al. Synthesis, spectroscopic and crystal structure analysis of a compound with pharmocophoric substituent: 2-cyclohexyl-6-(2-oxo-2H-chromen-3-yl)- imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde. J Chem Crystallogr 37, 193–198 (2007). https://doi.org/10.1007/s10870-006-9159-4

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