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Issue 18, 2015
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Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers

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Abstract

The compression and thermal expansion of crystalline 1,2,4-trichlorobenzene, C6H3Cl3, 124TCB, investigated under isobaric and isothermal conditions, are in reverse relation, as for most of crystals, however, the isochoric strain along direction c is clearly different from those along a and b. Single crystals of 124TCB have been in situ grown under isochoric and isobaric conditions, at 270 K/0.1 MPa and 295 K/0.16 GPa, and also at 100 K/0.1 MPa and 295 K/0.64 GPa, when the unit-cell volume is similar. All crystallizations yielded the same phase, of monoclinic space group P21/n, with two symmetry-independent molecules (Z′ = 2). The structure is governed by Cl⋯Cl and Cl⋯H interactions and the molecules are all nearly parallel to the [001] direction. Systematic differences of these specific contacts afford rationalizing the isochoric strain of the crystal. The phase diagram of 124TCB has been outlined.

Graphical abstract: Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers

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Publication details

The article was received on 19 Nov 2014, accepted on 27 Mar 2015 and first published on 27 Mar 2015


Article type: Paper
DOI: 10.1039/C4CE02289K
Citation: CrystEngComm, 2015,17, 3446-3451
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    Relations between compression and thermal contraction in 1,2,4-trichlorobenzene and melting of trichlorobenzene isomers

    M. Bujak, M. Podsiadło and A. Katrusiak, CrystEngComm, 2015, 17, 3446
    DOI: 10.1039/C4CE02289K

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