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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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Detalles Bibliográficos
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
Descripción
Sumario: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.