RESUMEN
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96â (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41â (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59â (11) and 70.09â (9)°, respectively. There is an intra-molecular C-Hâ¯π inter-action involving the tosyl-ate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, mol-ecules are linked by C-Hâ¯π inter-actions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π-π inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672â (2)â Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014 â¶). Eur. J. Org. Chem. pp. 1505-1513].
RESUMEN
In the title compound, C27H28N2O4, the pyrrolidine ring adopts a twist conformation. The plane of the indole ring is almost perpendicular to that of the pyrrolidine ring, making a dihedral angle of 88.50â (6)°. The planes of the naphthyl ring system and the pyrrolidine ring are tilted by an angle of 55.86â (5)°. The mol-ecular conformation is stabilized by intra-molecular O-Hâ¯O and O-Hâ¯N hydrogen bonds.
RESUMEN
In the title compound, C(19)H(20)N(2)O(6), the pyrone and pyran rings adopt envelope conformations with the same common C atom as the flap, the dihedral angle between the planes of the remaining ring atoms being 68.27â (4)°. The planar atoms of the pyran ring and the diaza-cyclic ring are almost coplanar, the dihedral angle between their mean planes being 3.29â (7)°. Moreover, the planar atoms of the pyrone ring and benzene ring of the coumarin unit are also close to coplanar, the dihedral angle between their mean planes being 8.03â (9)°. The meth-oxy group lies in the plane of the benzene ring, with a dihedral angle between their mean planes of 9.4â (2)°. In the crystal, the molecules are linked by C-Hâ¯O hydrogen bonds resulting in sheets of mol-ecules in the ac plane.
RESUMEN
The title mol-ecule, C23H20O3, is disordered with a 180° rotation about an axis normal to the length of the mol-ecule, with the major and minor components in a 0.545â (5):0.455â (5) ratio. In the major component, the central benzene ring forms dihedral angles of 72.34â (3) and 69.46â (3)° with the dimethyl-substituted and meth-oxy-substituted benzene rings, respectively. Moreover, the central benzene ring forms dihedral angles of 50.86â (5) and 58.43â (4)° with the mean planes of the ketone groups. In the minor component, the corresponding dihedral angles between the benzene rings are 71.36â (4) and 67.94â (4)° and the dihedral angles between the benzene ring and the ketone groups are 56.44â (9) and 55.51â (8)°. In the crystal, C-Hâ¯O inter-actions generate a C(9) chain along the a-axis direction.
RESUMEN
In the title compound, C23H20N2O6, the fused pyrone and pyran rings each adopt a sofa conformation. The dihedral angle between the mean planes of the pyran and phenyl rings is 61.9â (1)°. In the crystal, mol-ecules are linked by two pairs of C-Hâ¯O hydrogen bonds, forming dimers. These dimers are linked via a third C-Hâ¯O hydrogen bond, forming a two-dimensional network parallel to (10-2).
RESUMEN
In the title mol-ecule, C30H35NO8, the ace-naphthyl-enone moiety, two atoms of a methyl pyrrolidine ring (N and C atoms) and four atoms of an ethyl acetate moiety (two C and two O atoms) are disordered over two sets of sites in ratio 0.532â (7):0.468â (7). The three C atoms of a di-meth-oxy-ethane ring and dioxolane ring attached with two methyl groups are disordered over two sets of sites in 0.66â (2):0.34â (2) and 0.62â (2):0.38â (2) ratios, respectively. The major and minor components of the ace-naphthyl-ene ring are essentially planar (r.m.s. deviations = 0.0254 and 0.0436â Å, respectively). The major and minor components of the pyrrolidine ring adopt C-envelope conformations with C atoms displaced by 0.492â (11) and 0.595â (7)â Å from the remaining ring atoms. One of the dioxolane rings is disordered with its major component in an envelope conformation [C displaced by 0.511â (11)â Å] and the minor fraction is more or less planar with an r.m.s. deviation of 0.070â Å. The other dioxolane ring is in an envelope conformation, with a C atom displaced by 0.438â (3)â Å from the remainder of the ring atoms. The crystal packing features C-Hâ¯O inter-actions, which generate C(9) chains.
RESUMEN
In the title compound C38H32N4O3, one pyrrolidine ring adopts an envelope conformation with the N atom as the flap while other pyrrolidine ring adopts an twisted conformation. The pyrrolizine ring forms dihedral angles of 79.24â (5) and 77.57â (5)° with the chromene and indole rings, respectively. The carbonyl O atoms deviate from the least-square planes through the chromene and indole rings by 0.0113â (12) and 0.0247â (12)â Å, respectively. In the crystal, non-classical C-Hâ¯O inter-actions link the mol-ecules, generating an C(9) chain along the b-axis direction.
RESUMEN
In the title compound, C41H31N3O3, the pyrazole and pyrrolidine rings adopt twisted conformations. The mean plane of the pyrazole ring forms dihedral angles of 9.11â (12) and 39.65â (11)° with the phenyl rings. The O atoms deviate from the mean planes of the chromene and ace-naphthyl-ene ring systems by 0.194â (15) and 0.079â (15)â Å, respectively. In the crystal, molecules are linked via pairs of C-Hâ¯O inter-actions,forming inversion dimers with an R 2 (2)(12) ring motif.
RESUMEN
In the central aza-bi-cyclo-octane unit of the title compound, C40H34N4O3·0.75H2O, the peripheral pyrrolidine ring adopts an envelope conformation with the N atom deviating by 0.209â (2)â Å, whereas the other pyrrolidine ring adopts a twisted conformation with the bridging N and C atoms deviating by -0.218â (2) and 0.236â (3)â Å, respectively, from the rest of the ring. The pyrazole ring forms dihedral angles of 42.36â (7) and 24.07â (8)° with its C- and N-attached phenyl groups, respectively. The solvent water mol-ecule has a partial occupancy of 0.75. In the crystal, the water mol-ecules link the fused-ring mol-ecules into chains along the b axis via O-Hâ¯N and O-Hâ¯O hydrogen bonds. The crystal packing is further stabilized by C-Hâ¯π inter-actions involving a methyl-ene group of the pyran ring and the C-attached benzene ring on the pyrazole ring.
RESUMEN
The title compound, C23H20N2O6, crystallizes with two mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the pyran and phenyl rings are 66.6â (1) and 61.9â (1) °. The fused pyrone and pyran rings each adopts a sofa conformation. In the crystal, C-Hâ¯O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to [001].
RESUMEN
In the title compound, C32H25NO5, the furan and pyrrole rings each adopt an envelope conformation, the respective flap atoms being the C atom bearing the pyrene substituent and the CH2 atom adjacent to the N atom. The mol-ecular conformation is stabilized by an intra-molecular O-Hâ¯N hydrogen bond. In the crystal, C-Hâ¯O contacts link the mol-ecules, forming a two-dimensional network parallel to (001).
RESUMEN
In the title compound, C30H29BrN2O5, the ß-lactam ring is essentially planar, with the O atom displaced from this plane by 0.856â (9)â Å, and forming dihedral angles of 24.35â (13) and 89.42â (14)° with the planes of the benzene substituent groups on this ring. The tetra-hydro-pyran ring adopts an envelope conformation with the C atom bearing the ß-lactam ring as the flap. In the crystal, weak C-Hâ¯O hydrogen bonds with carboxyl and tetra-hydro-pyran O-atom acceptors give rise to a chain structure extending along the b-axis direction.
RESUMEN
In the title compound, C(32)H(37)NO(8), the central pyran ring adopts a twist-boat conformation and the 1,3-dioxoane rings adopt envelope conformations. The acenaphthyl-enone unit and two C atoms of a pyrrolidine ring are disordered over two sets of sites [occupancy ratio 0.669â (7):0.331â (7)]. The major fraction of the disordered pyrrolidine ring exhibits an envelope conformation while the minor component is essentially planar [maximum deviation = 0.037â (12)â Å]. The other pyrrolidine ring also adopts an envelope conformation. The dihedral angle between the mean planes of the two wings of the pyrrolidine ring is 30.6â (2)°. Both the major and minor components of the acenaphthyl-enone unit are essentially planar, the maximum deviations being 0.025â (10) and 0.047â (19)â Å, respectively; the dihedral angle between the mean planes of the two components is 1.72â (3)°. The crystal packing features C-Hâ¯O inter-actions.
RESUMEN
In the title compound, C(24)H(22)N(2)O(3), the indoline and pyrrole-fused naphtho-quinone units are both essentially planar [r.m.s. deviations = 0.042â (3) and 0.133â (3)â Å, respectively]. The pyrrole ring adopts a C-envelope conformation. The dihedral angle between the mean planes of the two five-membered rings is 89.94â (9)°. The O atoms deviate from the mean planes of the pyrrolidine and naphthalene rings by 0.0311â (2), 0.2570â (2) and 0.1669â (2)â Å. In the crystal, C-Hâ¯O inter-actions generate dimers with R(2) (2)(16) and R(2) (2)(18) graph-set motifs. The carbonyl O atom is involved in bifurcated hydrogen bonding. C-Hâ¯π inter-actions also occur.
RESUMEN
In the title compound, C(34)H(35)NO(7)S, the acenaphthyl-ene unit is essentially planar (r.m.s. deviation = 0.0335â Å). The pyrrolo-thia-zole ring system is folded about the bridging N-C bond; the thia-zolidine and pyrrolidine rings adopt S- and C-envelope conformations, respectively, with a 'butterfly' angle between the mean planes of 51.38â (10)°. The dioxolane and tetra-hydro-furan rings adopt O- and a C-envelope conformations, respectively, with a 'butterfly' angle between the mean planes of 57.12â (10)°. Two C atoms are each disordered over two positions with site-occupancy factors of 0.450â (7) and 0.550â (7). The crystal packing is stabilized by C-Hâ¯O inter-actions, generating an R(2) (2)(14) graph-set ring motif.
RESUMEN
The title compound, C(37)H(31)ClN(4)O(4), crystallizes with two mol-ecules (A and B) in the asymmetric unit. The pyrrole rings in both mol-ecules are connected via cis fusion, whereas one ring has a twisted conformation and the other assumes a half-chair conformation. In the crystal, the A mol-ecules form inversion dimers via a pair of C-Hâ¯Cl inter-actions, while the B mol-ecules form chains propagating in [1[Formula: see text]0], via C-Hâ¯O inter-actions. In the crystal, there are also a number of C-Hâ¯π inter-actions present.
RESUMEN
In the title compound, C(21)H(24)N(2)O(3), the diazepane ring adopts a chair conformation. The central diazepane ring forms dihedral angles 67.80â (7) and 72.29â (5)° with the two benzene rings. The eth-oxy-carbonyl group is disordered over two conformations with site-occupancy factors of 0.643â (5) and 0.357â (5). In the crystal, inversion dimers linked by pairs of N-Hâ¯O hydrogen bonds generate R(2) (2)(8) loops.
RESUMEN
The title compound, C(20)H(22)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both mol-ecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6â (4)/40.3â (5) and 75.9â (5)/58.6â (7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685â (14) and 0.498â (13)â Å. The eth-oxy-carbonyl groups show conformational difference between two mol-ecules, as reflected in the orientation of the carbonyl O atoms and the C-C-O-C torsion angle of -179.0â (2)° in one mol-ecule and 73.2â (2)° in the other. In one molecule there is a short N-Hâ¯O contact that generates an S(5) ring motif. In the crystal, N-Hâ¯O inter-actions generate R(2) (2)(8) graph-set motifs and C-Hâ¯O inter-actions generate R(2) (2)(10) and R(2) (2)(14) graph-set motifs. C-Hâ¯π inter-actions also occur.
RESUMEN
Mol-ecules of the title compound, C(16)H(10)Br(2)O(3), adopt an E conformation about the C=C double bond. The dihedral angle between the two aromatic rings is 78.0â (7)°. In the crystal, mol-ecules are linked through weak C-Hâ¯O hydrogen bonds.
RESUMEN
In the title compound, C(9)H(10)O(4), the dihedral angle between the benzene ring and the -CO(2) unit is 11.93â (8)° and the conformation of the 2-hy-droxy-ethyl side chain is gauche [O-C-C-O = -71.91â (17)°]. In the crystal, mol-ecules are linked by O-Hâ¯O and C-Hâ¯O hydrogen bonds.