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(1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis

In the title compound, C(28)H(34)N(2)O(5), the adjacent ester and nitro­benzene substituents are connected via an intra­molecular methyl­ene-C—H⋯π(nitrobenzene) inter­action and the mol­ecule approximates to a U-shape. The di­hydro­pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with t...

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Autores principales: Zukerman-Schpector, Julio, Soto-Monsalve, Monica, De Almeida Santos, Regina H., Machado, Angelo H. L., Correia, Carlos Roque D., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947815/
https://www.ncbi.nlm.nih.gov/pubmed/29765735
http://dx.doi.org/10.1107/S2056989018003092
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author Zukerman-Schpector, Julio
Soto-Monsalve, Monica
De Almeida Santos, Regina H.
Machado, Angelo H. L.
Correia, Carlos Roque D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_facet Zukerman-Schpector, Julio
Soto-Monsalve, Monica
De Almeida Santos, Regina H.
Machado, Angelo H. L.
Correia, Carlos Roque D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_sort Zukerman-Schpector, Julio
collection PubMed
description In the title compound, C(28)H(34)N(2)O(5), the adjacent ester and nitro­benzene substituents are connected via an intra­molecular methyl­ene-C—H⋯π(nitrobenzene) inter­action and the mol­ecule approximates to a U-shape. The di­hydro­pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with the carboxyl­ate residue [C(m)—N—C1—O(c) (m = methine, c = carbox­yl) torsion angle = 1.8 (4)°] but is orthogonal to the 4-meth­oxy­benzene ring [dihedral angle = 84.34 (17)°]. In the crystal, methyl­ene-C—H⋯O(carbon­yl) inter­actions lead to linear supra­molecular chains along the b-axis direction, which pack without directional inter­actions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak inter­atomic H⋯H, O⋯H/H⋯O and C⋯H/H⋯C contacts in the crystal.
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spelling pubmed-59478152018-05-15 (1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis Zukerman-Schpector, Julio Soto-Monsalve, Monica De Almeida Santos, Regina H. Machado, Angelo H. L. Correia, Carlos Roque D. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(28)H(34)N(2)O(5), the adjacent ester and nitro­benzene substituents are connected via an intra­molecular methyl­ene-C—H⋯π(nitrobenzene) inter­action and the mol­ecule approximates to a U-shape. The di­hydro­pyrrole ring (r.m.s. deviation = 0.003 Å) is almost co-planar with the carboxyl­ate residue [C(m)—N—C1—O(c) (m = methine, c = carbox­yl) torsion angle = 1.8 (4)°] but is orthogonal to the 4-meth­oxy­benzene ring [dihedral angle = 84.34 (17)°]. In the crystal, methyl­ene-C—H⋯O(carbon­yl) inter­actions lead to linear supra­molecular chains along the b-axis direction, which pack without directional inter­actions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak inter­atomic H⋯H, O⋯H/H⋯O and C⋯H/H⋯C contacts in the crystal. International Union of Crystallography 2018-02-28 /pmc/articles/PMC5947815/ /pubmed/29765735 http://dx.doi.org/10.1107/S2056989018003092 Text en © Zukerman-Schpector et al. 2018 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
Zukerman-Schpector, Julio
Soto-Monsalve, Monica
De Almeida Santos, Regina H.
Machado, Angelo H. L.
Correia, Carlos Roque D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
(1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title (1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_full (1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_fullStr (1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_full_unstemmed (1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_short (1R,2S,5R)-5-Methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_sort (1r,2s,5r)-5-methyl-2-[2-(4-nitro­phen­yl)propan-2-yl]cyclo­hexyl 2-(4-meth­oxy­phen­yl)-2,5-di­hydro-1h-pyrrole-1-carboxyl­ate: crystal structure and hirshfeld analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947815/
https://www.ncbi.nlm.nih.gov/pubmed/29765735
http://dx.doi.org/10.1107/S2056989018003092
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