ABSTRACT
In the title compound, C31H24N4O2, the di-hydro-quinoxaline units are both essentially planar with the dihedral angle between their mean planes being 64.82â (4)°. The attached phenyl rings differ significantly in their rotational orientations with respect to the di-hydro-quinoxaline planes. In the crystal, one set of C-Hâ¯O hydrogen bonds form chains along the b-axis direction, which are connected in pairs by a second set of C-Hâ¯O hydrogen bonds. Two sets of π-stacking inter-actions and C-Hâ¯π(ring) inter-actions join the double chains into the final three-dimensional structure.
ABSTRACT
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.
ABSTRACT
In the title compound, C17H12N2O, the quinoxaline moiety shows deviations of 0.0288â (7) to -0.0370â (7)â Å from the mean plane (r.m.s. deviation of fitted atoms = 0.0223â Å). In the crystal, corrugated layers two mol-ecules thick are formed by C-Hâ¯N hydrogen bonds and π-stacking inter-actions.
ABSTRACT
In the title compound, C31H24N4O2, the quinoxaline units are distinctly non-planar and twisted end-to-end. In the crystal, C-Hâ¯O and C-Hâ¯N hydrogen bonds link the mol-ecules into chains extending along the a-axis direction. The chains are linked through π-stacking inter-actions between inversion-related quinoxaline moieties.
ABSTRACT
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.
ABSTRACT
The majority of the title mol-ecule, C28H34ClN3O9S, is disordered over two closely spaced sets of sites; the site occupancy of the major component = 0.542â (3). The conformation of each component is approximately U-shaped with the chloro-benzene ring forming the base and the indolinyl and sulfamoyl groups the sides; an intra-molecular C-Hâ¯Cl hydrogen bond possibly contributes to the stabilization of the conformation. In the crystal, a corrugated layer structure parallel to the ab plane is formed by C-Hâ¯O and C-Hâ¯Cl hydrogen bonds together with C-Hâ¯π(ring) inter-actions.
ABSTRACT
The triazole ring in the title mol-ecule, C9H10N4O, is not quite coplanar with the six-membered ring to which it is fused, the dihedral angle between the two least-squares planes being 2.52â (6)°. In the crystal, a layered structure is formed by N-Hâ¯N and C-Hâ¯O hydrogen bonds plus slipped π-stacking inter-actions, with the fused cyclo-hexene rings projecting to either side.
ABSTRACT
The quinoxaline moiety in the title mol-ecule, C18H17N3O2, is not quite planar and the p-tolyl group is rotationally disordered over two nearly equally populated sets of sites. In the crystal, N-Hâ¯O and C-Hâ¯O hydro-gen bonds form chains extending along the b-axis direction. Due to the disorder of the p-tolyl rings, short Câ¯C distances are observed between adjacent chains.
ABSTRACT
The quinoxaline unit in the title mol-ecule, C18H16N4O5, is slightly puckered [dihedral angle between the rings = 2.07â (12)°] while the whole mol-ecule adopts an L-shaped conformation. Intra-molecular hydrogen bonding determines the orientation of the substituted phenyl ring and the amide nitro-gen atom is almost planar. The packing in the crystal is governed by C-Hâ¯O hydrogen bonds and slipped π-stacking inter-actions.
ABSTRACT
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.
ABSTRACT
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.
ABSTRACT
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.
ABSTRACT
The quinoxaline portion of the title mol-ecule, C21H19N5O3, is not quite planar as indicated by a dihedral angle of 3.38â (7)° between the constituent rings. The mol-ecule is 'U-shaped', which is consolidated by an intra-molecular anti-parallel carbonyl electrostatic inter-action with C··O distances of 2.8905â (16) and 3.0221â (15)â Å, in the crystal forms corrugated layers through C-Hâ¯O and C-Hâ¯N hydrogen bonds and C-Hâ¯π(ring) and π-stacking inter-actions.
ABSTRACT
The asymmetric unit of the title compound, C9H10N4O, comprises three independent mol-ecules, two pairs of which differ significantly in the rotational orientation of the azido group and one pair having very similar conformations; the N-N-C-C torsion angles are -173.9â (2), -102.7â (2) and -173.6â (2)°. In the crystal, each independent mol-ecule forms N-Hâ¯O hydrogen bonds with its glide-plane-related counterparts, forming zigzag chains extending along the c-axis direction.
ABSTRACT
In the title mol-ecule, C17H20N2O4, the inner part of the ester substituent is nearly perpendicular to the di-hydro-pyridazine ring, forming a dihedral angle of 83.21â (7)°. In the crystal, inversion dimers are formed by pairwise C-Hâ¯O inter-actions with the dimers connected into chains extending along the b-axis direction by C-Hâ¯π(ring) inter-actions. The chains are connected by π-stacking inter-actions to give corrugated layers parallel to the ab plane. The terminal ethyl group is disordered over two two sets of sites with the major component having a site occupancy factor of 0.715â (10).
ABSTRACT
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.
ABSTRACT
The cup-shaped conformation of the title mol-ecule, C21H22N2O4, is largely determined by an intra-molecular N-Hâ¯O hydrogen bond. In the crystal, double layers of mol-ecules are formed by O-Hâ¯O and C-Hâ¯O hydrogen bonds. A Hirshfeld surface analysis was performed, which confirms the regions that are active for inter-molecular inter-actions.
ABSTRACT
The asymmetric unit of the title compound, C8H7FN4O, consists of two independent mol-ecules differing in the orientation of the azido group. Each mol-ecule forms N-Hâ¯O hydrogen-bonded chains along along the c-axis direction with its symmetry-related counterparts and the chains are connected by C-Fâ¯π(ring), C=Oâ¯π(ring) and slipped π-stacking inter-actions. A Hirshfeld surface analysis of these inter-actions was performed.
ABSTRACT
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%).
ABSTRACT
In the title compound, C(11)H(9)N(5)O, the pyrazolo-pyrimidin-4-one ring system is almost planar, with a maximum deviation of 0.0546â (13)â Å for the O atom. The crystal packing is stabilized by inter-molecular N-Hâ¯N, C-Hâ¯O and C-Hâ¯N hydrogen bonds. In addition, π-π stacking is found between the pyridine ring and the pyrazolo-pyrimidin-4-one ring systems, with centroid-centroid distances in the range 3.9627â (12)-4.6781â (12)â Å.