Ethyl 1H-indole-2-carboxyl­ate

Our work in the area of synthesis of tris indole compounds as a potential chelator led to the synthesis and crystallization of ethyl 1H-indole-2-carboxyl­ate, C(11)H(11)NO(2), an indole that was synthesized by the thionyl chloride reaction of 1H-indole-2-carb­oxy­lic acid, followed by dissolution in...

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Detalles Bibliográficos
Autores principales: Lynch, Will E., Whitlock, Christine R., Padgett, Clifford W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462284/
https://www.ncbi.nlm.nih.gov/pubmed/36338908
http://dx.doi.org/10.1107/S2414314620012055
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author Lynch, Will E.
Whitlock, Christine R.
Padgett, Clifford W.
author_facet Lynch, Will E.
Whitlock, Christine R.
Padgett, Clifford W.
author_sort Lynch, Will E.
collection PubMed
description Our work in the area of synthesis of tris indole compounds as a potential chelator led to the synthesis and crystallization of ethyl 1H-indole-2-carboxyl­ate, C(11)H(11)NO(2), an indole that was synthesized by the thionyl chloride reaction of 1H-indole-2-carb­oxy­lic acid, followed by dissolution in ethanol. The mol­ecular packing exhibits a herringbone pattern with the zigzag running along the b-axis direction; the compound crystallizes as a hydrogen-bonded dimer resulting from O⋯H—N hydrogen bonds, between the indole N—H group and the keto oxygen atom, which build centrosymmetric R (2) (2)(10) ring motifs in the crystal. [Image: see text]
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spelling pubmed-94622842022-11-04 Ethyl 1H-indole-2-carboxyl­ate Lynch, Will E. Whitlock, Christine R. Padgett, Clifford W. IUCrdata Data Reports Our work in the area of synthesis of tris indole compounds as a potential chelator led to the synthesis and crystallization of ethyl 1H-indole-2-carboxyl­ate, C(11)H(11)NO(2), an indole that was synthesized by the thionyl chloride reaction of 1H-indole-2-carb­oxy­lic acid, followed by dissolution in ethanol. The mol­ecular packing exhibits a herringbone pattern with the zigzag running along the b-axis direction; the compound crystallizes as a hydrogen-bonded dimer resulting from O⋯H—N hydrogen bonds, between the indole N—H group and the keto oxygen atom, which build centrosymmetric R (2) (2)(10) ring motifs in the crystal. [Image: see text] International Union of Crystallography 2020-09-08 /pmc/articles/PMC9462284/ /pubmed/36338908 http://dx.doi.org/10.1107/S2414314620012055 Text en © Lynch et al. 2020 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Data Reports
Lynch, Will E.
Whitlock, Christine R.
Padgett, Clifford W.
Ethyl 1H-indole-2-carboxyl­ate
title Ethyl 1H-indole-2-carboxyl­ate
title_full Ethyl 1H-indole-2-carboxyl­ate
title_fullStr Ethyl 1H-indole-2-carboxyl­ate
title_full_unstemmed Ethyl 1H-indole-2-carboxyl­ate
title_short Ethyl 1H-indole-2-carboxyl­ate
title_sort ethyl 1h-indole-2-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462284/
https://www.ncbi.nlm.nih.gov/pubmed/36338908
http://dx.doi.org/10.1107/S2414314620012055
work_keys_str_mv AT lynchwille ethyl1hindole2carboxylate
AT whitlockchristiner ethyl1hindole2carboxylate
AT padgettcliffordw ethyl1hindole2carboxylate

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