RESUMO
In the title compound, C14H13N3O4, the pyran ring adopts an envelope conformation with the methine C atom as the flap. The dihedral angle between the benzene and hydro-pyridine rings is 29.33â (3)°. The methyl-amine C atom deviates from the plane of its attached ring by 0.380â (5)â Å and an intra-molecular N-Hâ¯O hydrogen bond closes an S(6) ring. In the crystal, weak C-Hâ¯O hydrogen bonds and aromatic π-π stacking inter-actions [centroid-centroid distances vary from 3.6529â (10) to 3.6872â (10)â Å] link the mol-ecules, generating a three-dimensional network.
RESUMO
In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14â (16)°. The mol-ecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system being inclined to one another by 47.03â (13)°. There is an intra-molecular O-Hâ¯O hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked by C-Hâ¯N hydrogen bonds, forming chains propagating along [001]. The chains are linked by slipped parallel π-π inter-actions, involving inversion-related benzene rings, forming slabs lying parallel to the bc plane {inter-centroid distance = 3.770â (2)â Å].
RESUMO
In the title binaphthyl compound, C34H24Cl2O2, the dihedral angle between the two naphthyl ring systems (r.m.s. deviations = 0.016 and 0.035â Å) is 76.33â (8)°. The chloro-phenyl rings make dihedral angles of 58.15â (12) and 76.21â (13)° with the naphthyl ring to which they are linked. The dihedral angle between the planes of the two chloro-phenyl rings is 27.66â (16)°. In the crystal, C-Hâ¯O hydrogen bonds link mol-ecules into chains propagating along [1-10]. The chains are linked by C-Hâ¯π inter-actions, forming a three-dimensional framework.
RESUMO
In the title compound, C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064â Å) are almost normal to one another with a dihedral angle of 85.59â (6)°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intra-molecular N-Hâ¯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of N-Hâ¯O hydrogen bonds, forming inversion dimers with an R 2 (2)(12) ring motif. The dimers are linked by pairs of C-Hâ¯O hydrogen bonds, enclosing R 2 (2)(6) ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C-Hâ¯O hydrogen bonds, forming slabs parallel to (110). Within the slabs there are C-Hâ¯π inter-actions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015 â¸). Acta Cryst. C71, 9-18] following unsuccessful attempts to model it as plausible solvent mol-ecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent mol-ecule(s).
RESUMO
In the title compound, C22H13BrN2O7·CHCl3, the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromo-chromene system as the flap [deviation = 0.291â (3)â Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032â Å) and the bromo-chromene ring system (r.m.s. deviation = 0.027â Å) is 87.56â (9)°. An intra-molecular N-Hâ¯O hydrogen bond closes an S(6) ring. The Cl atoms of the solvent mol-ecule are disordered over two sets of sites in a 0.515â (6):0.485â (6) ratio. In the crystal, inversion dimers linked by pairs of N-Hâ¯O hydrogen bonds generate R 2 (2)(12) loops. The packing also features C-Hâ¯O and very weak π-π [centroid-centroid separation = 3.960â (2)â Å] inter-actions, which link the dimers into a three-dimensional network.
RESUMO
The title compounds, C13H8ClN3O6, (I), and C13H9N3O6, (II), differ in the orientation of the two aromatic rings. In (I), they are essentially coplanar, making a dihedral angle of 8.2â (1)°, while in (II), they are inclined to one another by 76.2â (1)°. The two nitro groups are essentially coplanar with the attached benzene rings, as indicated by the dihedral angles of 1.4â (2) and 2.3â (2)° in (I), and 4.96â (18) and 5.4â (2)° in (II). The carbamate group is twisted slightly from the attached benzene ring, with a C-N-C-O torsion angle of -170.17â (15)° for (I) and 168.91â (13)° for (II). In the crystals of of both compounds, mol-ecules are linked via N-Hâ¯O hydrogen bonds, forming chains propagating along [010]. In (I), C-Hâ¯O hydrogen bonds also link mol-ecules within the chains. The crystal packing in (I) also features a very weak π-π inter-action [centroid-centroid distance = 3.7519â (9)â Å].
RESUMO
In the title compound, C21H17N3O2, the 2-hy-droxy-5-methyl-phenyl ring and the phenyl ring are inclined to the mean plane of the pyrazolo-pyridine moiety (r.m.s. deviation = 0.013â Å) by 52.89â (9) and 19.63â (8)°, respectively, and to each other by 42.83â (11)°. In the mol-ecule, there are intra-molecular O-Hâ¯O and C-Hâ¯N hydrogen bonds, both enclosing an S(6) ring motif. In the crystal, mol-ecules stack along the c-axis direction, forming columns within which there are a number of π-π inter-actions [the inter-centroid distances vary from 3.5278â (10) to 3.8625â (10)â Å]. The columns are linked by C-Hâ¯π inter-actions, forming slabs parallel to (100).
RESUMO
In the title compound, C23H14Cl4N2O7, the pyran ring has an envelope conformation with the methine C atom as the flap. The chromene rings are almost planar (r.m.s. deviations of 0.027 and 0.018â Å) and their mean planes are inclined to one another by 85.61â (10)°. The mean planes of the pyran ring and the chromene ring fused to it are inclined to one another by 7.41â (13)°. The mol-ecular structure is stabilized by an intra-molecular N-Hâ¯O hydrogen bond, generating an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of N-Hâ¯O hydrogen bonds, forming inversion dimers with an R (2) 2(12) ring motif. The dimers are linked by pairs of C-Hâ¯O hydrogen bonds, enclosing R (2) 2(18) ring motifs, forming chains along [010]. Within the chains there are C-Hâ¯π inter-actions. The chains are linked via slipped parallel π-π inter-actions, forming a three-dimensional structure [the shortest inter-centroid distance is 3.7229â (19)â Å].
RESUMO
In the title compound, C20H14BrN3O3, the benzene ring makes dihedral angles of 71.30â (11) and 68.95â (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92â (12)°. The O atoms deviate from the naphthalene ring system by 0.029â (2) and -0.051â (2)â Å. In the crystal, mol-ecules are linked by C-Hâ¯O and C-Hâ¯N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linked via C-Hâ¯O and π-π stacking inter-actions [centroid-centroid distance = 3.4451â (14)â Å], forming slabs parallel to the bc plane.
RESUMO
In the title compound, C27H19ClFN3O3, the pyrazole ring has a twist conformation and the six-membered ring to which it is fused has a screw-boat conformation. The mean plane of the pyrazole ring is inclined to the 2-methyl-indoline ring by 85.03â (9) and by 28.17â (8)° to the mean plane of the iso-quinoline ring system. In the crystal, mol-ecules are linked by pairs of C-Hâ¯F hydrogen bonds, forming inversion dimers. These dimers are linked via C-Hâ¯O hydrogen bonds, forming a two-dimensional network lying parallel to (10-1).