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(4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis

In the title compound, C(12)H(12)N(2)O(4), the di­hydro­pyrrole ring is almost planar (r.m.s. deviation = 0.0049 Å) and is nearly coplanar with the adjacent C(2)O(2) residue [dihedral angle = 4.56 (9)°], which links to the 4-nitro­benzene substituent [dihedral angle = 4.58 (8)°]. The mol­ecule is co...

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Autores principales: Zukerman-Schpector, Julio, Soto-Monsalve, Monica, De Almeida Santos, Regina H., Garcia, Ariel L. 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/PMC5947806/
https://www.ncbi.nlm.nih.gov/pubmed/29765726
http://dx.doi.org/10.1107/S2056989018002451
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author Zukerman-Schpector, Julio
Soto-Monsalve, Monica
De Almeida Santos, Regina H.
Garcia, Ariel L. 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.
Garcia, Ariel L. 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(12)H(12)N(2)O(4), the di­hydro­pyrrole ring is almost planar (r.m.s. deviation = 0.0049 Å) and is nearly coplanar with the adjacent C(2)O(2) residue [dihedral angle = 4.56 (9)°], which links to the 4-nitro­benzene substituent [dihedral angle = 4.58 (8)°]. The mol­ecule is concave, with the outer rings lying to the same side of the central C(2)O(2) residue and being inclined to each other [dihedral angle = 8.30 (7)°]. In the crystal, supra­molecular layers parallel to (10-5) are sustained by nitro­benzene-C—H⋯O(carbon­yl) and pyrrole-C—H⋯O(nitro) inter­actions. The layers are connected into a three-dimensional architecture by π(pyrrole)–π(nitro­benzene) stacking [inter-centroid separation = 3.7414 (10) Å] and nitro-O⋯π(pyrrole) inter­actions.
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spelling pubmed-59478062018-05-15 (4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis Zukerman-Schpector, Julio Soto-Monsalve, Monica De Almeida Santos, Regina H. Garcia, Ariel L. L. Correia, Carlos Roque D. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(12)H(12)N(2)O(4), the di­hydro­pyrrole ring is almost planar (r.m.s. deviation = 0.0049 Å) and is nearly coplanar with the adjacent C(2)O(2) residue [dihedral angle = 4.56 (9)°], which links to the 4-nitro­benzene substituent [dihedral angle = 4.58 (8)°]. The mol­ecule is concave, with the outer rings lying to the same side of the central C(2)O(2) residue and being inclined to each other [dihedral angle = 8.30 (7)°]. In the crystal, supra­molecular layers parallel to (10-5) are sustained by nitro­benzene-C—H⋯O(carbon­yl) and pyrrole-C—H⋯O(nitro) inter­actions. The layers are connected into a three-dimensional architecture by π(pyrrole)–π(nitro­benzene) stacking [inter-centroid separation = 3.7414 (10) Å] and nitro-O⋯π(pyrrole) inter­actions. International Union of Crystallography 2018-02-23 /pmc/articles/PMC5947806/ /pubmed/29765726 http://dx.doi.org/10.1107/S2056989018002451 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.
Garcia, Ariel L. L.
Correia, Carlos Roque D.
Jotani, Mukesh M.
Tiekink, Edward R. T.
(4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title (4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_full (4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_fullStr (4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_full_unstemmed (4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_short (4-Nitro­phen­yl)methyl 2,3-di­hydro-1H-pyrrole-1-carboxyl­ate: crystal structure and Hirshfeld analysis
title_sort (4-nitro­phen­yl)methyl 2,3-di­hydro-1h-pyrrole-1-carboxyl­ate: crystal structure and hirshfeld analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947806/
https://www.ncbi.nlm.nih.gov/pubmed/29765726
http://dx.doi.org/10.1107/S2056989018002451
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