RESUMEN
The di-hydro-imidazole ring in the title mol-ecule, C20H20N2O3S, is slightly distorted and the lone pair on the tri-coordinate nitro-gen atom is involved in intra-ring π bonding. The methyl-sulfanyl substituent lies nearly in the plane of the five-membered ring while the ester substituent is rotated well out of that plane. In the crystal, C-Hâ¯O hydrogen bonds form inversion dimers, which are connected along the a- and c-axis directions by additional C-Hâ¯O hydrogen bonds, forming layers parallel to the ac plane. The major contributors to the Hirshfeld surface are Câ¯H/Hâ¯C, Oâ¯H/Hâ¯O and Sâ¯H/Hâ¯S contacts at 20.5%, 14.7% and 4.9%, respectively.
RESUMEN
In the title mol-ecule, C21H17N3O2, the five-membered ring is slightly ruffled and dihedral angles between the pendant six-membered rings and the central, five-membered ring vary between 50.78â (4) and 86.78â (10)°. The exocyclic nitro-gen lone pair is involved in conjugated π bonding to the five-membered ring. In the crystal, a layered structure is generated by O-Hâ¯N and N-Hâ¯O hydrogen bonds plus C-Hâ¯π(ring) and weak π-stacking inter-actions.
RESUMEN
The conformation of the title mol-ecule, C20H17ClFN3O2, is partly determined by an intra-molecular C-Hâ¯O hydrogen bond, which leads to a dihedral angle of 14.7â (4)° between the fluoro-benzene ring and the acetamide group. The 2-chloro-benzyl group is rotationally disordered over two orientations in a 0.656â (2): 0.344â (2) ratio. In the crystal, a layered structure is formed by N-Hâ¯O, C-Hâ¯O and C-Hâ¯F hydrogen bonds plus slipped π-π stacking inter-actions.
RESUMEN
In the title mol-ecule, C17H16N2OS, the di-hydro-imidazolone ring is slightly puckered and the methyl-sulfanyl group is nearly coplanar with it. In the crystal, two sets of C-Hâ¯O hydrogen bonds form corrugated layers of mol-ecules parallel to the ac plane. The layers pack with normal van der Waals contacts between them.
RESUMEN
The title mol-ecule, C23H26N2O4S, adopts a cup-shaped conformation. In the crystal, layers lying parallel to the ab plane are formed by C-Hâ¯O hydrogen bonds and C-Hâ¯π(ring) inter-actions. The layers stack along the c-axis direction through normal van der Waals inter-actions.
RESUMEN
The imidazolidine ring in the title mol-ecule, C17H15BrN2O2, is slightly ruffled [r.m.s. deviation = 0.0192â Å], while the attached phenyl rings at the C atom at the position between the amine and carbonyl centres are rotated well out of its mean plane [dihedral angles with the imidazolidine ring = 63.60â (8) and 76.4â (1)°]. In the crystal, a three-dimensional network features N-Hâ¯O and C-Hâ¯O hydrogen bonds together with C-Hâ¯π(ring) inter-actions.
RESUMEN
The imidazolidine ring in the title mol-ecule, C19H20N2O2, is slightly 'ruffled'. In the crystal, a layer structure is generated by N-Hâ¯O and C-Hâ¯O hydrogen bonds plus C-Hâ¯π(ring) inter-actions.
RESUMEN
In the title mol-ecule, C9H10ClNO2, the meth-oxy group lies very close to the plane of the phenyl ring while the acetamido group is twisted out of this plane by 28.87â (5)°. In the crystal, a three-dimensional structure is generated by N-Hâ¯O, C-Hâ¯O and C-Hâ¯Cl hydrogen bonds plus C-Hâ¯π(ring) inter-actions. A Hirshfeld surface analysis of the inter-molecular inter-actions was performed and indicated that Câ¯H/Hâ¯C inter-actions make the largest contribution to the surface area (33.4%).