Abstract
The title compound (2-nitro-ethene-1,1-diyl)-bis-(4-isopropylbenzyl)sulfane) (5), was synthesised using a two step process. The structure of the product (5) was established by UV, FT-IR, 1H NMR, 13C NMR, C,H,N analysis, LC-MS and single crystal X-ray diffraction analysis. The single crystal of the title compound (5) was crystallized in Monoclinic with the space group of P21/c. The crystal exhibit the following unit cell parameters a = 12.8165(18), b = 6.1878(6), c = 27.082(4) Å, β = 90.705(17)°, V = 2147.6(5) A3, Z = 4, D x = 1.242 Mg/m3 and the molecular formula of C22H27N1O2S2 was found. The final R value was 0.0776. The crystal structure is stabilized by an interesting intramolecular push and pull five membered electrocyclic interaction between the O1–N1–C2–C1–S1- and via the intermolecular H-bonding interaction between C2–H2···O2.
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References
H. S. P. Rao, L. Sakthikumar, S. Vanitha, and S. S. Kumar, Tetrahedron Lett. 44, 4701 (2003).
H. S. P. Rao and S. Sivakumar, J. Org. Chem. 70 (11), 4524 (2005).
R. Alan Aitken, Prog. Heterocycl. Chem. 16 (C), 272 (2005).
H. S. P. Rao and S. Sivakumar, J. Org. Chem. 71, 8715 (2006).
S. K. Richardson and A. R. Howell, Synthesis 18, 2755 (2007).
H. S. P. Rao, S. Sivakumar, and Beilstein, J. Org. Chem. 3, 31 (2007).
H. S. P. Rao and K. Vasantham, J. Org. Chem. 74. 6847 (2009).
H. S. P. Rao and K. Vasantham, J. Org. Chem. 123 (4), 411 (2011).
C. Li, X.-Y. Xu, J.-Y. Li, et al., J. Labeled Compd. Radiopharm. 54 (13), 775 (2011).
C.-W. Yang, Y.-X. Bai, N.-T. Zhang, et al., Tetrahedron 68 (49), 10201 (2012).
L. Pan, X. Bi, and Q. Liu, Chem. Soc. Rev. 42 (3), 1251 (2013).
S. Shanmuga Sundara Raj, H. S. P. Rao, L. Sakthikumar, and H.-K. Fun, Acta Crystallogr. C 56, 1113 (2000).
H. S. P. Rao, L. Sakthikumar, and S. Shreedevi, Sulfur Lett. 25 (5), 207 (2002).
H. S. P. Rao, Indian J. Chem., Sect. B: Org. Med. Chem. 47 (2), 272 (2008).
L. Sakthikumar, E. Anjukam, and S. Dileepkumar, Adv. Pharm. Toxicol. 9 (1), 127 (2008).
L. Sakthikumar, J. Kavitha, and R. Mahalakshmi, Der Pharma Chemica, 6 (2), 294 (2014).
Oxford Diffraction. CrysAlis CCD and CrysAlis RED, versions 1.171.33.55 (Oxford Diffraction, Yarnton, Oxfordshire, UK, 2008).
G. M. Sheldrick, Acta Crystallogr. A 64, 112 (2008).
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Sakthikumar, L., Mahalakshmy, R., Bhargavi, G. et al. Synthesis, spectral characterization, and single crystal structure studies of (2-nitro-ethene-1,1-diyl)-bis-((4-isopropyl-benzyl)sulfane). Crystallogr. Rep. 60, 1027–1031 (2015). https://doi.org/10.1134/S1063774515070196
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DOI: https://doi.org/10.1134/S1063774515070196