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Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid

The title compounds, C(14)H(12)O, (I), and C(15)H(11)BrO(2), (II), were prepared and characterized as part of our studies of potential new photo-acid generators. In (I), which crystallizes in the ortho­rhom­bic space group Pca2(1), compared to P2(1)/n for the previously known monoclinic polymorph [C...

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Autores principales: Harrison, William T. A., Plater, M. John, Yin, Lee J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778828/
https://www.ncbi.nlm.nih.gov/pubmed/27006818
http://dx.doi.org/10.1107/S2056989016002942
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author Harrison, William T. A.
Plater, M. John
Yin, Lee J.
author_facet Harrison, William T. A.
Plater, M. John
Yin, Lee J.
author_sort Harrison, William T. A.
collection PubMed
description The title compounds, C(14)H(12)O, (I), and C(15)H(11)BrO(2), (II), were prepared and characterized as part of our studies of potential new photo-acid generators. In (I), which crystallizes in the ortho­rhom­bic space group Pca2(1), compared to P2(1)/n for the previously known monoclinic polymorph [Cornella & Martin (2013 ▸). Org. Lett. 15, 6298–6301], the dihedral angle between the aromatic rings is 4.35 (6)° and the OH group is disordered over two sites in a 0.795 (3):0.205 (3) ratio. In the crystal of (I), mol­ecules are linked by O—H⋯π inter­actions involving both the major and minor –OH disorder components, generating [001] chains as part of the herringbone packing motif. The asymmetric unit of (II) contains two mol­ecules with similar conformations (weighted r.m.s. overlay fit = 0.183 Å). In the crystal of (II), both mol­ecules form carboxyl­ate inversion dimers linked by pairs of O—H⋯O hydrogen bonds, generating R (2) (2)(8) loops in each case. The dimers are linked by pairs of C—H⋯O hydrogen bonds to form [010] chains.
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spelling pubmed-47788282016-03-22 Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid Harrison, William T. A. Plater, M. John Yin, Lee J. Acta Crystallogr E Crystallogr Commun Research Communications The title compounds, C(14)H(12)O, (I), and C(15)H(11)BrO(2), (II), were prepared and characterized as part of our studies of potential new photo-acid generators. In (I), which crystallizes in the ortho­rhom­bic space group Pca2(1), compared to P2(1)/n for the previously known monoclinic polymorph [Cornella & Martin (2013 ▸). Org. Lett. 15, 6298–6301], the dihedral angle between the aromatic rings is 4.35 (6)° and the OH group is disordered over two sites in a 0.795 (3):0.205 (3) ratio. In the crystal of (I), mol­ecules are linked by O—H⋯π inter­actions involving both the major and minor –OH disorder components, generating [001] chains as part of the herringbone packing motif. The asymmetric unit of (II) contains two mol­ecules with similar conformations (weighted r.m.s. overlay fit = 0.183 Å). In the crystal of (II), both mol­ecules form carboxyl­ate inversion dimers linked by pairs of O—H⋯O hydrogen bonds, generating R (2) (2)(8) loops in each case. The dimers are linked by pairs of C—H⋯O hydrogen bonds to form [010] chains. International Union of Crystallography 2016-02-24 /pmc/articles/PMC4778828/ /pubmed/27006818 http://dx.doi.org/10.1107/S2056989016002942 Text en © Harrison et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Harrison, William T. A.
Plater, M. John
Yin, Lee J.
Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
title Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
title_full Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
title_fullStr Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
title_full_unstemmed Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
title_short Investigations of new potential photo-acid generators: crystal structures of 2-[(E)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2E)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
title_sort investigations of new potential photo-acid generators: crystal structures of 2-[(e)-2-phenyl­ethen­yl]phenol (ortho­rhom­bic polymorph) and (2e)-3-(2-bromo­phen­yl)-2-phenyl­prop-2-enoic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4778828/
https://www.ncbi.nlm.nih.gov/pubmed/27006818
http://dx.doi.org/10.1107/S2056989016002942
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