Cargando…
(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...
Autores principales: | , , , , , , |
---|---|
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 |
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. |
---|