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

Batsanov, A.S.; Collings, J.C.; Ward, R.M.; Goeta, A.E.; Porres, L.; Beeby, A.; Howard, J.A.K.; Steed, J.W.; Marder, T.B.

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.

Citation

Batsanov, A., Collings, J., Ward, R., Goeta, A., Porres, L., Beeby, A., …Marder, T. (2006). 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. CrystEngComm, 8, 622-628. https://doi.org/10.1039/b606327f

• Journal Article Type: Article
• Publication Date: 2006-07
• Journal: CrystEngComm
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 8
• Pages: 622-628
• DOI: https://doi.org/10.1039/b606327f