RESUMEN
In the title compound, C17H18N2O, the aromatic rings are almost normal to one another, making a dihedral angle of 89.00â (8)°. There is an intra-molecular N-Hâ¯O hydrogen bond in the mol-ecule enclosing an S(6) ring motif. In the crystal, mol-ecules are linked by N-Hâ¯O hydrogen bonds, forming chains along [010].
RESUMEN
In the title compound, C20H18O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap, and its mean plane makes a dihedral angle of 73.25â (2)° with the pyran ring mean plane. The furan ring makes dihedral angles of 67.43â (12) and 6.20â (11)° with the mean plane of the dioxolane and pyran rings, respectively. The O atom attached to the pyran ring deviates by 0.0219â (2)â Å from its mean plane. In the crystal, mol-ecules are linked via C-Hâ¯O hydrogen bonds, forming chains along [010] and enclosing R 2 (2)(9) loops. They stack along the a axis with π-π inter-actions involving the 4H-chromene units [centroid-centroid distances of 3.6389â (13) and 3.6555â (13)â Å]. The terminal CH2=CH- atoms of the allyl acetate group are disordered over two sets of sites with a refined occupancy ratio of 0.717â (6):0.283â (6).
RESUMEN
In the title mol-ecule, C18H16O7, the dioxolane ring adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The furan ring is almost coplanar with the pyran ring, with a dihedral angle of 1.04â (10)° between the planes, and it makes a dihedral angle of 67.97â (11)° with the mean plane of the dioxolane ring. The latter makes a dihedral angle of 67.15â (10)° with the pyran ring. The O atom attached to the pyran ring deviates by -0.009â (1)â Å. The crystal packing features C-Hâ¯O hydrogen bonds, forming a three-dimensional structure. The meth-oxy-carbonyl atoms are disordered over two positions, with a refined occupancy ratio of 0.508â (18):0.492â (18).
RESUMEN
In the title adduct, C6H5NO3·0.5C4H10N2, the piperazine ring possesses inversion symmetry and has a chair conformation. Its mean plane makes a dihedral angle of 65.45â (7)° with the 4-nitro-phenol ring. In the crystal, the piperazine ring is linked to two 4-nitro-phenol mol-ecules via O-Hâ¯N hydrogen bonds. The mol-ecules are also linked via bifurcated N-Hâ¯(O,O) hydrogen bonds involving the NO2 O atoms, forming a two-dimensional network lying parallel to (102). The networks are linked via C-Hâ¯O hydrogen bonds, forming a three-dimensional structure.
RESUMEN
In the title compound, C29H23N3O4, the 2-methylpyrrolidine ring adopts a twist conformation on the N-C bond involving the spiro C atom, while the hydropyran ring adopts an envelope conformation with the methine C atom bonded to the O atom as the flap. The mean plane of the indoline-2-one ring system is almost perpendicular to the mean plane of the pyrrolidine ring, making a dihedral angle of 89.73â (8)°. The latter ring makes dihedral angles of 47.80â (8) with the naphthalene ring system and 32.38â (8)° with the hydropyran ring mean plane. There is an intra-molecular C-Hâ¯O hydrogen bond involving the indoline-2-one O atom. In the crystal, adjacent mol-ecules are linked via N-Hâ¯O hydrogen bonds, forming chains propagating along [100]. The chains are linked via weak C-Hâ¯O hydrogen bonds, forming two-dimensional networks, lying parallel to (101), and consolidated by C-Hâ¯π inter-actions.
RESUMEN
In the title compound, C29H27N3O5, the hydropyran ring adopts an envelope conformation with the methine C atom bearing the para-meth-oxy-benzene ring as the flap. The central pyrrolidine ring has a twist conformation on the N-C bond involving the spiro C atom. The piperidine ring adopts a chair conformation. An intra-molecular C-Hâ¯O contact closes an S(7) ring. In the crystal, inversion dimers linked by C-Hâ¯O inter-actions generate R 2 (2)(18) loops and N-Hâ¯O hydrogen bonds connect the dimers into [100] chains.
RESUMEN
In the title compound, C21H23NO3S, both the thia-zole and oxazolidine rings adopt twist conformations. The mean plane of the thia-zole ring makes a dihedral angle of 61.02â (7)° with the oxazolidine ring mean plane, and dihedral angles of 22.72â (6) and 75.07â (6)° with the benzene rings. The benzene rings are almost perpendicular to one another, making a dihedral angle of 89.14â (6)°. There are bifurcated intra-molecular C-Hâ¯O hydrogen bonds in the mol-ecular structure. In the crystal, mol-ecules are linked via C-Hâ¯π inter-actions, forming chains propagating along [100].
RESUMEN
In the title compound, C19H19NO3S, the thia-zole and oxazolidine rings each adopt an envelope conformation, with the S and O atoms as the respective flap atoms. The thia-zole and oxazolidine rings (all atoms) make a dihedral angle of 66.39â (11)° while the phenyl rings subtend a dihedral angle of 22.71â (10)°.
RESUMEN
In the title mol-ecular salt, C6H9N2 (+)·C7H4NO4 (-), the original pyridine N atom of 2-amino-4-methyl-pyridine is protonated and the carb-oxylic acid group of nitro-benzoic acid is deprotonated. In the crystal, the ions are linked by N-Hâ¯O hydrogen bonds, forming chains propagating along [001]. The chains are linked via C-Hâ¯O hydrogen bonds, forming two-dimensional networks lying parallel to the bc plane.
RESUMEN
In the title compound, C16H16Cl2N4, the imidazole ring mean plane makes a dihedral angle of 70.01â (1)° with the phenyl ring. The Cl atoms deviate by -0.0472â (6) and 0.0245â (8)â Å from the plane of their attached benzene ring. In the crystal, mol-ecules are linked via pairs of C-Hâ¯N hydrogen bonds, forming inversion dimers.
RESUMEN
In the title compound, C28H25N3O4, the central pyrrolidine ring adopts adopts an envelope conformation with the N atom as the flap and the piperidine ring adopts a chair conformation. The pendant pyrrolidine ring is almost planar (r.m.s. deviation = 0.008â Å). An intra-molecular C-Hâ¯O inter-action closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N-Hâ¯O hydrogen bonds generate R 2 (2)(8) loops.
RESUMEN
The mol-ecular conformation of the title compound, C41H29ClN4O3S, is stabilized by intra-molecular C-Hâ¯O and C-Hâ¯Cl hydrogen bonds. The thia-zole ring adopts an envelope conformation with the N atom as the flap, while the pyrrolidine ring has a twisted conformation on the N-C bond involving the spiro C atom. The ß la-ctam ring makes dihedral angles of 39.74â (15) and 16.21â (16)° with the mean planes of the thia-zole and pyrrolidine rings, respectively. The thia-zole ring mean plane makes dihedral angles of 23.79â (13) and 70.88â (13) ° with the pyrrolidine and cyclo-pentane rings, respectively, while the pyrrolidine ring makes a dihedral angle of 85.63â (13)° with the cyclo-pentane ring. The O atom attached to the ß la-ctam ring deviates from its mean plane by 0.040â (2)â Å, while the O atom attached to the cyclo-pentane ring deviates from its mean plane by 0.132â (2)â Å. In the crystal, mol-ecules are linked by C-Hâ¯O hydrogen bonds, forming chains along [010], and C-Hâ¯π and π-π inter-actions [centroid-centroid distance = 3.6928â (17)â Å].
RESUMEN
In the title compound, C16H10Cl2N4O4, the pyrazine rings make dihedral angles of 67.82â (9) and 75.91â (9)° with the benzene ring, while the dihedral angle between the pyrazine rings is 44.69â (10)°. The meth-oxy-carbonyl group makes a dihedral angle of 16.82â (8)° with the benzene ring to which it is attached. In the crystal, C-Hâ¯O hydrogen bonds link the mol-ecules, forming chains running along the ab plane.
RESUMEN
In the title compound, C16H16N2O, the phenyl and 2-amino-phenyl rings are almost perpendicular to one another, with a dihedral angle of 82.77â (8)°. There is an intra-molecular N-Hâ¯O hydrogen bond in the mol-ecule. In the crystal, mol-ecules are linked via N-Hâ¯O hydrogen bonds forming chains along [001]. There are also C-Hâ¯π inter-actions present, linking the chains to form a three-dimensional structure.
RESUMEN
In the title salt, C6H10N3O2 (+)·C7H7O3S(-), the imidazole ring makes a dihedral angle of 70.93â (12)° with the plane of the toluene ring. In the crystal, the ions are linked via N-Hâ¯O and weak C-Hâ¯O hydrogen bonds forming two-dimensional networks lying parallel to (001). These networks are linked via C-Hâ¯π inter-actions, forming a three-dimensional structure.
RESUMEN
In the title compound, C16H12F2O3, the plane of the phenyl ring makes a dihedral angle of 3.22â (8)° with that of the benzene ring. The mol-ecule has an E conformation about the C=C bond. In the crystal, mol-ecules are linked via pairs of O-Hâ¯O hydrogen bonds, forming inversion dimers which are further consolidated by a pair of C-Hâ¯O hydrogen bonds. The dimers are linked via C-Hâ¯O hydrogen bonds, forming columns along the b-axis direction.
RESUMEN
The asymmetric unit of the title compound, C16H10N2O2, contains one half-mol-ecule, the complete mol-ecule being generated by twofold rotation symmetry. The plane of the pyrazine ring forms a dihedral angle of 64.87â (6)° with that of the benzene ring, and the planes of the two benzene rings are inclined to one another by 54.20â (6)°. The O atom deviates from the plane of the benzene ring by 0.1549â (8)â Å. There are no significant inter-molecular inter-actions in the crystal.
RESUMEN
The asymmetric unit of the title compound, C14H8Cl2N4O2, contains one half-mol-ecule, the complete mol-ecule being generated by the operation of a twofold rotation axis. The Cl atom deviates significantly from the plane of the pyrazine ring [0.0215â (4)â Å]. The central benzene ring makes a dihedral angle of 72.82â (7)° with the plane of the pyrazine ring.
RESUMEN
In the title compound, C26H22ClFO2, the cyclo-propane ring is disordered over two orientations, with site-occupancy factors of 0.64â (2) and 0.36â (2). The major occupancy component of the cyclo-propane ring makes dihedral angles of 47.6â (7), 50.4â (7) and 65.4â (7)° with the fluoro-, chloro- and unsubstituted benzene rings, respectively [the corresponding values for the minor occupancy component are 47.6â (12), 51.0â (12) and 60.9â (12)°]. An intra-molecular C-Hâ¯O hydrogen bond occurs. The F and Cl atoms deviate by 0.0508â (12) and 0.0592â (7)â Å from the planes of their attached benzene rings. In the crystal, C-Hâ¯F hydrogen bonds link the mol-ecules into chains along the b-axis direction.
RESUMEN
In the title compound, C14H8Cl2N4O2, the pyrazine rings are orthogonal to the benzene ring, making dihedral angles of 88.42â (8) and 89.22â (8)°. The Cl atoms attached to the pyrazine rings deviate by -0.0597â (5) and 0.0009â (5)â Å from the ring plane. The crystal structure features C-Hâ¯N hydrogen bonds.