4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate

The title benzene hemisolvate, C(17)H(18)N(2)O(3)·0.5C(6)H(6), features an essentially planar (the r.m.s. deviation of the non-H atoms, excluding methyl-C, is 0.071 Å) diazo mol­ecule with an E conformation about the N=N bond, and a half-mol­ecule of benzene disposed about a centre of inversion. The...

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Detalles Bibliográficos
Autores principales: Basu Baul, Tushar S., Paul, Anup, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983727/
https://www.ncbi.nlm.nih.gov/pubmed/21580311
http://dx.doi.org/10.1107/S1600536810003880
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author Basu Baul, Tushar S.
Paul, Anup
Tiekink, Edward R. T.
author_facet Basu Baul, Tushar S.
Paul, Anup
Tiekink, Edward R. T.
author_sort Basu Baul, Tushar S.
collection PubMed
description The title benzene hemisolvate, C(17)H(18)N(2)O(3)·0.5C(6)H(6), features an essentially planar (the r.m.s. deviation of the non-H atoms, excluding methyl-C, is 0.071 Å) diazo mol­ecule with an E conformation about the N=N bond, and a half-mol­ecule of benzene disposed about a centre of inversion. The dihedral angle formed between the benzene rings of the diazo mol­ecule is 7.69 (12)°. In the crystal, centrosymmetrically related dimers associate via the eight-membered carboxylic acid dimer synthon, {⋯HOC(=O)}(2), and these are connected into a supra­molecular chain along the b axis via C—H⋯O contacts.
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spelling pubmed-29837272010-12-30 4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate Basu Baul, Tushar S. Paul, Anup Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title benzene hemisolvate, C(17)H(18)N(2)O(3)·0.5C(6)H(6), features an essentially planar (the r.m.s. deviation of the non-H atoms, excluding methyl-C, is 0.071 Å) diazo mol­ecule with an E conformation about the N=N bond, and a half-mol­ecule of benzene disposed about a centre of inversion. The dihedral angle formed between the benzene rings of the diazo mol­ecule is 7.69 (12)°. In the crystal, centrosymmetrically related dimers associate via the eight-membered carboxylic acid dimer synthon, {⋯HOC(=O)}(2), and these are connected into a supra­molecular chain along the b axis via C—H⋯O contacts. International Union of Crystallography 2010-02-06 /pmc/articles/PMC2983727/ /pubmed/21580311 http://dx.doi.org/10.1107/S1600536810003880 Text en © Basu Baul et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Basu Baul, Tushar S.
Paul, Anup
Tiekink, Edward R. T.
4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
title 4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
title_full 4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
title_fullStr 4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
title_full_unstemmed 4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
title_short 4-[(E)-(5-tert-Butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
title_sort 4-[(e)-(5-tert-butyl-2-hydroxy­phen­yl)diazen­yl]benzoic acid benzene hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983727/
https://www.ncbi.nlm.nih.gov/pubmed/21580311
http://dx.doi.org/10.1107/S1600536810003880
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AT paulanup 4e5tertbutyl2hydroxyphenyldiazenylbenzoicacidbenzenehemisolvate
AT tiekinkedwardrt 4e5tertbutyl2hydroxyphenyldiazenylbenzoicacidbenzenehemisolvate

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