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X-ray Structures of Homologous Smectogenic Compounds of 4-Isothiocyanatophenyl 4-(trans-4-Alkylcyclohexyl) Benzoates

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Abstract

The novel crystal structures of the two homologous smectogenic compounds of 4-isothiocyanatophenyl 4-(trans-4-alkylcyclohexyl) benzoates, nTPCHB for n = 8 and n = 12 are described in detail. Both compounds crystallize in the triclinic system with centrosymmetric space group \(P\overline{1}\). Typical textures of the nematic and smectic phases have been found from texture studies. Enhancement of smectic layers is involved by molecular dimerization. The crystal to mesophase transition is probably of a displacive nature. The molecular geometry of both compounds is similar, featuring an elongated alkyl chain noteworthy. In both structures, the molecules are packed in a layered arrangement and weak intermolecular interactions are observed. 2D Hirshfeld fingerprint plots indicate that the packing is dominated by H⋯H and C⋯H/H⋯C contacts.

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Acknowledgements

Prof Malay Kumar Das, Physics department, University of North Bengal is acknowledged for donating the samples and carrying out the texture studies of the mesophases. Dr Jeremy Karl Cockcroft of the department of Chemistry, University College London, Gower Street, London WC1E 6BT is acknowledged for carrying out the X-ray diffraction data collection and initial determination of the structures with financial support from the EPSRC for funding the X-ray diffractometers (Grant Reference EP/K03930X/1).

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This research did not receive any other specific Grants from funding agencies in the public, commercial, or not-for-profit sectors.

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Authors and Affiliations

  1. Hemtabad Adarsha Vidyalaya (H.S), Hemtabad, Uttar Dinajpur, W.B., 733130, India

    Tanmay Choudhury

  2. Department of Physics, Raiganj University, Raiganj, Uttar Dinajpur, W.B., 733134, India

    Sakuntala Gupta

  3. Department of Crystallography, Biochemical Sciences, Birkbeck College, University of London, Malet Street, London, WC1E 7HX, UK

    Rex A. Palmer

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  1. Tanmay Choudhury
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  2. Sakuntala Gupta
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  3. Rex A. Palmer
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Correspondence to Sakuntala Gupta.

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Choudhury, T., Gupta, S. & Palmer, R.A. X-ray Structures of Homologous Smectogenic Compounds of 4-Isothiocyanatophenyl 4-(trans-4-Alkylcyclohexyl) Benzoates. J Chem Crystallogr 51, 145–154 (2021). https://doi.org/10.1007/s10870-020-00832-7

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  • DOI: https://doi.org/10.1007/s10870-020-00832-7

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