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Synthesis, Characterization, and Crystal Structure of 5'-Amino-4,4''-Dichloro-2'-Nitro-2',3'-Dihydro-[1,1':3',1''-Terphenyl]-4',4',6'(1'H)-Tricarbonitrile-Dimethyl Sulfoxide

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Abstract

The cyclohexene derivative 5'-amino-4,4''-dichloro-2'-nitro-2',3'-dihydro-[1,1':3',1''-terphenyl]-4',4',6'(1'H)-tricarbonitrile-dimethyl sulfoxide has been synthesised via one-pot pseudo five component reaction and its crystal structure is determined by X-ray analysis. The crystal is triclinic and its space group is P\(\bar {1}\) with unit cell parameters a = 9.8187(6) Å, b = 9.9413(6) Å, c = 13.6838(9) Å, α = 94.858(5)°, β = 98.693(5)°, γ = 97.119(5)°, and Z = 2. The crystal structure has been solved by direct methods and refined by full matrix least squares procedure to a final R value of 0.0687 for 1731 reflections. The cyclohexene ring B is twisted with respect to chlorophenyl rings A and C at angles of 51.9(5)° and 36.3(6)°, respectively. The crystal structure is stabilized by N–H⋅⋅⋅O and N–H⋅⋅⋅S hydrogen bonds involving the DMSO solvent molecule.

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ACKNOWLEDGMENTS

KN is grateful to the CSIR, New Delhi for awarding him Senior Research fellowship.

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Authors and Affiliations

  1. Department of Physics, University of Jammu, 180006, Jammu-Tawi, India

    A. Sharma & V. K. Gupta

  2. Laboratory of Natural Products and Organic Synthesis, Department of Chemistry, Visva-Bharati (a central University), 731235, Santiniketan, West Bengal, India

    K. Nurjamal & G. Brahmachari

  3. Department of Chemistry, Indus International University, Bathu, Una, 174301, Himachal Pradesh, India

    B. Banerjee

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  1. A. Sharma
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  2. K. Nurjamal
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  3. B. Banerjee
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Correspondence to V. K. Gupta.

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Sharma, A., Nurjamal, K., Banerjee, B. et al. Synthesis, Characterization, and Crystal Structure of 5'-Amino-4,4''-Dichloro-2'-Nitro-2',3'-Dihydro-[1,1':3',1''-Terphenyl]-4',4',6'(1'H)-Tricarbonitrile-Dimethyl Sulfoxide. Crystallogr. Rep. 65, 1208–1211 (2020). https://doi.org/10.1134/S1063774520070196

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