ABSTRACT: In the title compound, C19H18ClNO3, the non-aromatic part of the fused ring system adopts an envelope conformation with the central methyl-ene C atom as the flap. The dihedral angle between the pyridine and benzene rings is 56.98?(3)°. In the crystal, mol-ecules are linked into double layers parallel to (100) by a network of weak C-H?O inter-actions.
Project description:The asymmetric unit of title compound, C12H12N2O4, consists of two independent mol-ecules. In each mol-ecule, the oxadiazine ring has a flattened envelope conformation with the methyl-ene C atom as the flap atom, and the eth-oxy-carbonyl unit is in a syn-periplanar conformation with respect to the oxadiazine ring as indicated by O-C-C=O torsion angles of 1.9?(4) and 2.5?(4)°. The dihedral angles between the mean plane of the oxadiazine ring and the phenyl ring are 80.07?(13) and 42.98?(14)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds and stacked in a double-column along the a-axis direction.
Project description:In the title compound, C13H13NO4, the asymmetric unit contains four independent mol-ecules, each exhibiting an intra-molecular N-H?O hydrogen bond. The ethyl group in one of the four mol-ecules is disordered, with a refined occupancy ratio of 0.295?(16):0.705?(16). A face-to-face stacking inter-action is found between the benzene rings of the quinoline units of two of the mol-ecules [centroid-centroid distance = 3.541?(2)?Å], which are sandwiched by the other two mol-ecules through N-H?O hydrogen bonding. In the crystal, the sandwiched mol-ecules are assembled via stacking inter-actions along the b-axis direction with their translation-symmetry equivalents [centroid-centroid distance = 3.529?(2)?Å], and are further linked through N-H?O hydrogen bonding. The other two mol-ecules are linked via stacking inter-actions with their inversion-symmetry equivalents [centroid-centroid distances = 3.512?(3) and 3.716?(4)?Å] and via N-H?O hydrogen bonding.
Project description:In the title compound, C(21)H(25)NO(3), the hydro-pyridine ring that constitutes a part of the hexa-hydro-quinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088?Å) by 0.454?(3)?Å. The phenyl ring is aligned at 85.5?(1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N-H?O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along . The ethyl group is disordered over two positions in a 0.609?(6):0.391?(6) ratio.
Project description:In the title compound, C12H10ClNO3, the asymmetric unit comprises two independent mol-ecules, and the dihedral angle between the least-square planes of the quinoline ring systems of these mol-ecules is 73.30?(5)°. In the crystal, N-H?O hydrogen bonds between the independent mol-ecules lead to supra-molecular layers parallel to (-1-10); both N-H H atoms are bifurcated.
Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C16H15NO3S2, in which the pyrrolidine rings adopt envelope conformations, with a methyl-ene C atom as the flap. The dihedral angles betweeen the near-planar 2H-chromene ring systems [maximum deviations = 0.0167?(20) and 0.0136?(19)?Å] and the pyrrolidine rings (all atoms) are 83.83?(11) and 82.43?(11)°. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds occur for one of the mol-ecules. Further C-H?O links involving both mol-ecules generate a three-dimensional network.
Project description:In the mol-ecular structure of the title compound, C(21)H(25)NO(4), the dihydro-pyridine ring adopts a flattened boat conformation while the cyclo-hexenone ring is in an envelope conformation. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to (10) by N-H?O and O-H?O hydrogen bonds. The network is generated by R(4) (4)(30) and R(4) (4)(34) graph-set motifs.
Project description:The asymmetric unit of the title compound, C21H18ClFO3, contains two independent mol-ecules. In one mol-ecule (A), the 4-chloro-phenyl, oxo-cyclo-hex-3-ene, carboxyl-ate, and ethyl groups were refined as disordered over two sets of sites with a 0.684?(5):0.316?(5) ratio. The cyclo-hexene ring in the disordered mol-ecule is in a slightly distorted envelope conformation for the major component (with the C atom bound to the carboxylate group being the flap atom) and in a screw-boat conformation for the minor component. In the ordered mol-ecule (B), the cyclo-hexene ring is in a half-chair conformation. The dihedral angles between the mean planes of the fluoro- and chloro-substituted benzene rings are 89.9?(7) (only the major component is considered for A) and 76.4?(7)° (B). In the crystal, inversion dimers are observed along with weak C-H?O hydrogen bonds, which form chains along .
Project description:The title compound, C15H19NO4, is the a product of the esterification of the corresponding carbonic acid with methanol. The mol-ecule comprises a fused tetra-cyclic system containing three five-membered rings (2-pyrrolidinone, tetra-hydro-furan and di-hydro-furan) and one seven-membered ring (azepane). The five-membered rings have the usual envelope conformations, with the quaternary C atom being the flap atom for the 2-pyrrolidinone ring, and the ether O atom being the common flap atom for the remaining rings. The seven-membered azepane ring adopts a chair conformation with the methine and middle methyl-ene C atoms lying above and below the mean plane defined by the remaining five atoms. The carboxyl-ate substituent is rotated by 77.56?(5)° with respect to the base plane of the tetra-hydro-furan ring. In the crystal, the mol-ecules are bound by weak C-H?O hydrogen-bonding inter-actions into puckered layers parallel to (001).
Project description:In the mol-ecular structure of the title compound, C(22)H(27)NO(6), the dihydro-pyridine ring adopts a flattened boat conformation while the cyclo-hexenone ring is in an envelope conformation. In the crystal, mol-ecules stack parallel to the crystallographic a axis linked by inter-molecular N-H?O and C-H?O hydrogen bonds.
Project description:The asymmetric unit of the title compound, C13H10F3NO3, contains two independent mol-ecules with similar conformations. In the crystal, N-H?O hydrogen bonds link alternating independent mol-ecules into chains in [-110]. In the chain, the quinoline planes of the independent mol-ecules are almost perpendicular to each other, forming a dihedral angle of 89.8?(1)°. ?-? inter-actions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dimers, the shortest centroid-centroid distances are 3.495?(1) and 3.603?(1)?Å] link the hydrogen-bonded chains into layers parallel to (110). Weak C-H?F and C-H?O inter-actions further consolidate the crystal packing.