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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; Soto-Monsalve, Monica; De Almeida Santos, Regina H; Garcia, Ariel L L; Correia, Carlos Roque D; Jotani, Mukesh M; Tiekink, Edward R T.
Afiliação
  • Zukerman-Schpector J; Laboratório de Cristalografia, Esterodinâmica e Modelagem Molecular, Departamento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.
  • Soto-Monsalve M; Instituto de Química de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil.
  • De Almeida Santos RH; Instituto de Química de São Carlos, Universidade de São Paulo, São Carlos, SP, Brazil.
  • Garcia ALL; Instituto de Química, Universidade Estadual de Campinas, UNICAMP, CP 6154, CEP. 13084-971, Campinas, São Paulo, Brazil.
  • Correia CRD; Instituto de Química, Universidade Estadual de Campinas, UNICAMP, CP 6154, CEP. 13084-971, Campinas, São Paulo, Brazil.
  • Jotani MM; Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380 001, India.
  • Tiekink ERT; Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia.
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 = 0.0049 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 π(pyrrole)-π(nitro-benzene) stacking [inter-centroid separation = 3.7414 (10) Å] and nitro-O⋯π(pyrrole) inter-actions.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article