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(4-Nitro-phen-yl)methyl 2,3-di-hydro-1H-pyrrole-1-carboxyl-ate: crystal structure and Hirshfeld analysis.

ABSTRACT: In the title compound, C12H12N2O4, the di-hydro-pyrrole ring is almost planar (r.m.s. deviation = 0.0049?Å) and is nearly coplanar with the adjacent C2O2 residue [dihedral angle = 4.56?(9)°], which links to the 4-nitro-benzene substituent [dihedral angle = 4.58?(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 = 8.30?(7)°]. In the crystal, supra-molecular layers parallel to (10-5) are sustained by nitro-benzene-C-H?O(carbon-yl) and pyrrole-C-H?O(nitro) inter-actions. The layers are connected into a three-dimensional architecture by ?(pyrrole)-?(nitro-benzene) stacking [inter-centroid separation = 3.7414?(10)?Å] and nitro-O??(pyrrole) inter-actions.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC5947806 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature

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(4-Nitro-phen-yl)methyl 2,3-di-hydro-1H-pyrrole-1-carboxyl-ate: crystal structure and Hirshfeld analysis.

Zukerman-Schpector Julio J Soto-Monsalve Monica M De Almeida Santos Regina H RH Garcia Ariel L L ALL Correia Carlos Roque D CRD Jotani Mukesh M MM Tiekink Edward R T ERT

Acta crystallographica. Section E, Crystallographic communications 20180223 Pt 3

In the title compound, C12H12N2O4, the di-hydro-pyrrole ring is almost planar (r.m.s. deviation = 0.0049 Å) and is nearly coplanar with the adjacent C2O2 residue [dihedral angle = 4.56 (9)°], which links to the 4-nitro-benzene substituent [dihedral angle = 4.58 (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 an ...[more]

PMID: 29765726

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