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Issue 8, 2006
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Crystal engineering with ethynylbenzenes
Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K

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Abstract

The crystal and molecular structures of 4-ethynyl-N,N-dimethylaniline (1), and 4-(trimethylsilylethynyl)-N,N-dimethylaniline (2), have been obtained from X-ray diffraction data. Crystals of 1 exhibit a phase transition at 122.5 ± 2 K. Both polymorphs are triclinic with Z′ = 12, and the molecules are linked into dodecamers by weak hydrogen bonds involving [triple bond, length as m-dash]C–H groups. The orthorhombic crystals of 2 show no phase changes and have Z′ = 1.5 (3 half molecules) without short intermolecular contacts.

Graphical abstract: Crystal engineering with ethynylbenzenes Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K

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Publication details

The article was received on 04 May 2006, accepted on 30 Jun 2006 and first published on 11 Jul 2006


Article type: Paper
DOI: 10.1039/B606327F
Citation: CrystEngComm, 2006,8, 622-628
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    Crystal engineering with ethynylbenzenes

    A. S. Batsanov, J. C. Collings, R. M. Ward, A. E. Goeta, L. Porrès, A. Beeby, J. A. K. Howard, J. W. Steed and T. B. Marder, CrystEngComm, 2006, 8, 622
    DOI: 10.1039/B606327F

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