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Crystal Structure of 4-Bromo-3,4-Dichloro-1-(1-Morpholinyl)-1-(Decylsulfanyl)-2-Nitro-Buta-1,3-Diene

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Abstract

The compound 4-bromo-3,4-dichloro-1-(1-morpholinyl)-1-(decylsulfanyl)-2-nitro-buta-1,3-diene was synthesized from the reaction of 4-bromo-1,3,4-trichloro-1-(decylsulfanyl)-2-nitro-buta-1,3-diene with morpholine and characterized by elemental analysis, IR spectrum, UV spectra, 1H NMR,13C NMR and X-ray single crystal determination. In the title compound, C18H29BrCl2N2O3S, crystallizes in the monoclinic space group P21/c, a = 15.8326(4) Å, b = 8.9915(10) Å, c = 16.7528(5) Å, β = 100.808(10)°, V = 2,342.6(3) Å3, Z = 4, R 1 = 0.0590 and wR 2 = 0.0940. The morpholine ring adopts a chair conformation. The morpholine ring and the butadiene group are inclined at an angle of 113.4 (1)°. The butadiene unit is not planar as can be expected if the two double bonds are fully conjugated.

Graphical Abstract

The title compound, C18H29BrCl2N2O3S, crystallizes in the monoclinic space group P21/c. The structure of the compound contains the expected nitro group is substituted to butadienyl skeleton, the alkylsulfanyl chain and the morpholine ring.

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Notes

  1. Further information may be obtained from: Cambridge Crystallographic Data Center (CCDC), 12 Union Road, Cambridge CB21EZ, UK, by quoting the depository number CCDC-723246. E-mail: deposit@ccdc.cam.ac.uk.

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Acknowledgments

The author greatly acknowledges Research Fund of Istanbul University for financial support.

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Correspondence to Cemil Ibis.

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Ibis, C., Deniz, N.G. & Tuyun, A.F. Crystal Structure of 4-Bromo-3,4-Dichloro-1-(1-Morpholinyl)-1-(Decylsulfanyl)-2-Nitro-Buta-1,3-Diene. J Chem Crystallogr 40, 353–356 (2010). https://doi.org/10.1007/s10870-009-9660-7

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  • DOI: https://doi.org/10.1007/s10870-009-9660-7

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