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Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid

The title compound, C(18)H(17)BrO(2), is a key inter­mediate in the synthesis of lomitapide mesylate, a microsomal triglyceride transfer protein inhibitor. Its asymmetric unit contains two independent mol­ecules with slightly different conformations; the mean planes of the 4-bromo­butyl and carboxyl...

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Detalles Bibliográficos
Autores principales: Zhang, Xu-Yang, Liu, Bing-Ni, Wang, Ping-Bao, Liu, Deng-Ke
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257222/
https://www.ncbi.nlm.nih.gov/pubmed/25484705
http://dx.doi.org/10.1107/S1600536814019564
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author Zhang, Xu-Yang
Liu, Bing-Ni
Wang, Ping-Bao
Liu, Deng-Ke
author_facet Zhang, Xu-Yang
Liu, Bing-Ni
Wang, Ping-Bao
Liu, Deng-Ke
author_sort Zhang, Xu-Yang
collection PubMed
description The title compound, C(18)H(17)BrO(2), is a key inter­mediate in the synthesis of lomitapide mesylate, a microsomal triglyceride transfer protein inhibitor. Its asymmetric unit contains two independent mol­ecules with slightly different conformations; the mean planes of the 4-bromo­butyl and carboxyl­ate groups in the two mol­ecules form dihedral angles of 24.54 (12) and 17.10 (18)°. In the crystal, carboxyl­ate groups are involved in O—H⋯O hydrogen bonding, which leads to the formation of two crystallographically independent centrosymmetric dimers. Weak inter­molecular C—H⋯O inter­actions further link these dimers into layers parallel to the bc plane.
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spelling pubmed-42572222014-12-05 Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid Zhang, Xu-Yang Liu, Bing-Ni Wang, Ping-Bao Liu, Deng-Ke Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(18)H(17)BrO(2), is a key inter­mediate in the synthesis of lomitapide mesylate, a microsomal triglyceride transfer protein inhibitor. Its asymmetric unit contains two independent mol­ecules with slightly different conformations; the mean planes of the 4-bromo­butyl and carboxyl­ate groups in the two mol­ecules form dihedral angles of 24.54 (12) and 17.10 (18)°. In the crystal, carboxyl­ate groups are involved in O—H⋯O hydrogen bonding, which leads to the formation of two crystallographically independent centrosymmetric dimers. Weak inter­molecular C—H⋯O inter­actions further link these dimers into layers parallel to the bc plane. International Union of Crystallography 2014-09-24 /pmc/articles/PMC4257222/ /pubmed/25484705 http://dx.doi.org/10.1107/S1600536814019564 Text en © Zhang et al. 2014 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 Data Reports
Zhang, Xu-Yang
Liu, Bing-Ni
Wang, Ping-Bao
Liu, Deng-Ke
Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid
title Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid
title_full Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid
title_fullStr Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid
title_full_unstemmed Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid
title_short Crystal structure of 9-(4-bromo­but­yl)-9H-fluorene-9-carb­oxy­lic acid
title_sort crystal structure of 9-(4-bromo­but­yl)-9h-fluorene-9-carb­oxy­lic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257222/
https://www.ncbi.nlm.nih.gov/pubmed/25484705
http://dx.doi.org/10.1107/S1600536814019564
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