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N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester

The mol­ecular structure of the title compound, C(12)H(19)NO(5), may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C—H⋯O inter­actions assuming significance in optimizing supra­molecular aggregation in crysta...

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Autores principales: Rajalakshmi, P., Srinivasan, N., Krishnakumar, R.V., Razak, Ibrahim Abdul, Rosli, Mohd Mustaqim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629616/
https://www.ncbi.nlm.nih.gov/pubmed/23634103
http://dx.doi.org/10.1107/S1600536813007265
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author Rajalakshmi, P.
Srinivasan, N.
Krishnakumar, R.V.
Razak, Ibrahim Abdul
Rosli, Mohd Mustaqim
author_facet Rajalakshmi, P.
Srinivasan, N.
Krishnakumar, R.V.
Razak, Ibrahim Abdul
Rosli, Mohd Mustaqim
author_sort Rajalakshmi, P.
collection PubMed
description The mol­ecular structure of the title compound, C(12)H(19)NO(5), may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C—H⋯O inter­actions assuming significance in optimizing supra­molecular aggregation in crystals in a mol­ecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T (2)) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R (2) (4)(10) and R (3) (4)(26) ring motifs formed by four weak C—H⋯O inter­actions, leading to supra­molecular sheets lying parallel to the bc plane.
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spelling pubmed-36296162013-04-30 N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester Rajalakshmi, P. Srinivasan, N. Krishnakumar, R.V. Razak, Ibrahim Abdul Rosli, Mohd Mustaqim Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecular structure of the title compound, C(12)H(19)NO(5), may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C—H⋯O inter­actions assuming significance in optimizing supra­molecular aggregation in crystals in a mol­ecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T (2)) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R (2) (4)(10) and R (3) (4)(26) ring motifs formed by four weak C—H⋯O inter­actions, leading to supra­molecular sheets lying parallel to the bc plane. International Union of Crystallography 2013-03-23 /pmc/articles/PMC3629616/ /pubmed/23634103 http://dx.doi.org/10.1107/S1600536813007265 Text en © Rajalakshmi et al. 2013 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
Rajalakshmi, P.
Srinivasan, N.
Krishnakumar, R.V.
Razak, Ibrahim Abdul
Rosli, Mohd Mustaqim
N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester
title N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester
title_full N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester
title_fullStr N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester
title_full_unstemmed N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester
title_short N-But­oxy­carbonyl-5-oxo-l-proline ethyl ester
title_sort n-but­oxy­carbonyl-5-oxo-l-proline ethyl ester
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629616/
https://www.ncbi.nlm.nih.gov/pubmed/23634103
http://dx.doi.org/10.1107/S1600536813007265
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