(4-Nitro-phen-yl)methyl 2,3-di-hydro-1H-pyrrole-1-carboxyl-ate: crystal structure and Hirshfeld analysis.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 3): 371-375, 2018 Mar 01.
Article
em En
| MEDLINE
| ID: mdl-29765726
ABSTRACT
In the title compound, C12H12N2O4, the di-hydro-pyrrole ring is almost planar (r.m.s. deviation = 0.0049â
Å) and is nearly coplanar with the adjacent C2O2 residue [dihedral angle = 4.56â
(9)°], which links to the 4-nitro-benzene substituent [dihedral angle = 4.58â
(8)°]. The mol-ecule is concave, with the outer rings lying to the same side of the central C2O2 residue and being inclined to each other [dihedral angle = 8.30â
(7)°]. In the crystal, supra-molecular layers parallel to (10-5) are sustained by nitro-benzene-C-Hâ¯O(carbon-yl) and pyrrole-C-Hâ¯O(nitro) inter-actions. The layers are connected into a three-dimensional architecture by π(pyrrole)-π(nitro-benzene) stacking [inter-centroid separation = 3.7414â
(10)â
Å] and nitro-Oâ¯π(pyrrole) inter-actions.
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Ano de publicação:
2018
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Article