Crystal structure of 2-hy-droxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione.

Acta Crystallogr E Crystallogr Commun

Departamento de Física, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Avenida Antônio Carlos, 6627, Belo Horizonte, Minas Gerais, CEP 31.270-901, Brazil.

Published: September 2018

The naphtho-quinone unit of the title compound, CHO, is essentially planar, with an r.m.s. deviation of 0.013 Å for the non-H atoms. The essentially linear propargyl group is tilted by 113° relative to the naphtho-quinone plane. In the crystal, mol-ecules are linked a pair of O-H⋯O hydrogen bonds, forming an inversion dimer. The dimers are further linked pairs of C-H⋯O hydrogen bonds into a tape structure along [20]. No π-π stacking is observed in the present case as it could be expected for naphtho-quinone derivatives.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127683PMC
http://dx.doi.org/10.1107/S2056989018011647DOI Listing

Publication Analysis

Top Keywords

hydrogen bonds
8
crystal structure
4
structure 2-hy-droxy-3-prop-2-yn-1-ylnaphthalene-14-dione
4
2-hy-droxy-3-prop-2-yn-1-ylnaphthalene-14-dione naphtho-quinone
4
naphtho-quinone unit
4
unit title
4
title compound
4
compound cho
4
cho essentially
4
essentially planar
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!