1-(2-thienyl)penta-1,3-diyne-5-ol (TD-OL), C9H6OS, Mr = 162.2, orthorhombic, Pbcn, a = 22.660(2), b =7.482(1), c = 9.379(1) Å, F= 1590.0(3) Å3, Z = 8, Dc= 1.355 Mgm-3, μ = 0.338 mm-1, F(000) = 672, λ(MoKa) = 0.71069 Å, final R and wR2 are 0.044 and 0.1266 respectively.

T. Manisekaran

Crystal atomic structure

Molecular Structure

Organic compounds

Synthesis (chemical)

DIACETYLENES

Solid State reactivity

Nematic liquid crystals

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IIT Madras

Crystal structure of 1-(2-thienyl)penta-1,3-diyne-5-ol

Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals

Diacetylenes are known to undergo solid-state topochemical polymerisation to give polydiacetylenes. The reactivity of the monomer is controlled by the arrangement of the molecules in the crystal lattice wherein certain parametric conditions must be met for 1,4-addition to proceed. In the present paper, we investigated the structure-reactivity relationship of a class of diacetylene monomers. Heteroaryl moieties such as thiophene, benzo[b]thiophene and quinoline as one or both directly bound side groups of a diacetylene backbone were used. Thus various symmetrical as well as unsymmetrical diacetylenes were prepared and characterised. The solid-state polymerisation behaviour of these diacetylenes was studied in the light of their single-crystal X-ray structure. It was found that in order to react in the solid state, the diacetylenes must have the required lattice parameters. However, even when the required lattice parameters are met, the diacetylene monomers do not necessarily undergo solid-state 1,4-addition polymerisation, implying the existence of further controlling factors to determine reactivity.

Journal of the Chemical Society - Perkin Transactions 1

Heteroaryl functionalised diacetylenes: Preparation and solid-state reactivity

Polymer

Synthesis and properties of some novel unsymmetrically substituted diacetylenes

Journal of Molecular Structure

Computing aspects of crystal structure determination

Chemistry and Physics of One-Dimensional Metals

OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

Journal of Polymer Science: Polymer Physics Edition

Solid-state synthesis of large polymer single crystals

Crystal structure of 1-(2-thienyl) penta-1,3-diyne-5-OL

Journal	Data powered by TypesetMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Publisher	Data powered by TypesetTaylor and Francis Inc.
ISSN	1058725X
Open Access	No