6533b85afe1ef96bd12b98d5

RESEARCH PRODUCT

1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol

Leslie William Pineda CedeñoJorge A. Cabezas PizarroChristian A. Umaña

subject

crystal structurepropargylationHomopropargyl alcoholsDimer13-dilithiopropyneCrystal structurealkynes010402 general chemistryRing (chemistry)01 natural sciencesCrystalchemistry.chemical_compoundlcsh:QD901-999MoleculeMoiety010405 organic chemistryHydrogen bondCrystal structurePropargylationAromaticity0104 chemical sciences13-dili­thio­propyneCrystallographychemistryAlkynes540 Químicahomopropargyl alcoholslcsh:Crystallography

description

The asymmetric unit of the title homopropargyl alcohol, C20H16OS, contains two independent molecules comprising a hydroxy group, a 3-(2-thiophenyl)- propargylic moiety and two aromatic rings linked to a central carbon atom. The two unique molecules are linked into a dimer by an O—HO hydrogen bond. In one molecule, the thiophene ring is disordered over two orientations rotated by 180 with a refined occupancy ratio of 0.575 (4):0.425 (4). The crystal structure is stabilized by O—H and C—H hydrogen-bond interactions. The crystal studied was a two-component non-merohedral twin, the refined ratio of the twin components being 0.575 (4):0.425 (4). UCR::Vicerrectoría de Docencia::Ciencias Básicas::Facultad de Ciencias::Escuela de Química UCR::Vicerrectoría de Investigación::Unidades de Investigación::Ciencias Básicas::Centro de Investigación en Electroquímica y Energía Química (CELEQ)

yearjournalcountryeditionlanguage
2018-11-01
10.1107/s2414314618016164http://scripts.iucr.org/cgi-bin/paper?S2414314618016164