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Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxoethyl benzoate

The title com­pound, C(15)H(11)NO(5), is relatively planar, with the planes of the two aromatic rings being inclined to each other by 3.09 (5)°. In the crystal, mol­ecules are linked by a pair of C—H⋯O hydrogen bonds, forming inversion dimers, which enclose an R (2) (2)(16) ring motif. The dimers ar...

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Detalles Bibliográficos
Autores principales: Sheshadri, S. N., Chidan Kumar, C. S., Naveen, S., Veeraiah, M. K., Raghava Reddy, Kakarla, Warad, Ismail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829730/
https://www.ncbi.nlm.nih.gov/pubmed/31709096
http://dx.doi.org/10.1107/S2056989019013975
Descripción
Sumario:The title com­pound, C(15)H(11)NO(5), is relatively planar, with the planes of the two aromatic rings being inclined to each other by 3.09 (5)°. In the crystal, mol­ecules are linked by a pair of C—H⋯O hydrogen bonds, forming inversion dimers, which enclose an R (2) (2)(16) ring motif. The dimers are linked by a further pair of C—H⋯O hydrogen-bonds forming ribbons enclosing R (4) (4)(26) ring motifs. The ribbons are linked by offset π–π inter­actions [centroid–centroid distances = 3.6754 (6)–3.7519 (6) Å] to form layers parallel to the ac plane. Through Hirshfeld surface analyses, the d (norm) surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were examined to verify the contributions of the different inter­molecular contacts within the supra­molecular structure. The shape-index surface shows that two sides of the mol­ecule are involved with the same contacts in neighbouring mol­ecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.