Cargando…

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo­phen­yl)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile hemi­hydrate and 1,6-di­amino-2-oxo-4-phenyl-1,2-di­hydro­pyridine-3,5-dicarbo­nitrile

In 2-amino-4-(4-bromo­phen­yl)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile hemihydrate, C(18)H(14)BrN(3)O·0.5H(2)O, (I), pairs of mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming dimers with an R (2) (2)(12) ring motif. The dimers are connected by N—H⋯Br and O—H⋯O hydr...

Descripción completa

Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Khrustalev, Victor N., Venskovsky, Nikolai U., Tereshina, Tatiana A., Khalilov, Ali N., Akkurt, Mehmet, Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361375/
https://www.ncbi.nlm.nih.gov/pubmed/35974827
http://dx.doi.org/10.1107/S2056989022007356
Descripción
Sumario:In 2-amino-4-(4-bromo­phen­yl)-6-oxo-1-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carbo­nitrile hemihydrate, C(18)H(14)BrN(3)O·0.5H(2)O, (I), pairs of mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming dimers with an R (2) (2)(12) ring motif. The dimers are connected by N—H⋯Br and O—H⋯O hydrogen bonds, and C—Br⋯π inter­actions, forming layers parallel to the (010) plane. 1,6-Di­amino-2-oxo-4-phenyl-1,2-di­hydro­pyridine-3,5-dicarbo­nitrile, C(13)H(9)N(5)O, (II), crystallizes in the triclinic space group P [Image: see text] with two independent mol­ecules (IIA and IIB) in the asymmetric unit. In the crystal of (II), mol­ecules IIA and IIB are linked by inter­molecular N—H⋯N and N—H⋯O hydrogen bonds into layers parallel to (001). These layers are connected along the c-axis direction by weak C—H⋯N contacts. C—H⋯π and C—N⋯π inter­actions connect adjacent mol­ecules, forming chains along the a-axis direction. In (I) and (II), the stability of the packing is ensured by van der Waals inter­actions between the layers. In (I), Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H⋯H (37.9%), C⋯H/H⋯C (18.4%), Br⋯H/H⋯Br (13.3%), N⋯H/H⋯N (11.5%) and O⋯H/H⋯O (10.0%) inter­actions, while in (II), H⋯H inter­actions are the most significant contributors to the crystal packing (27.6% for mol­ecule IIA and 23.1% for mol­ecule IIB).