In the title compound, C24H15NO3, the fused naphthaquinone–pyrrole unit is approximately planar, the naphthaquinone ring system making a dihedral angle of 2.91 (10)° with the pyrrole ring. The plane of the pyrrole ring makes a dihedral angle 61.64 (14)° with that of the benzene ring of the benzoylmethylene group. The crystal structure is stablized by intramolecular C—H⋯O interactions.
In the title compound, C19H14OS, the naphthothiophene moiety is almost planar except for the S atom of the five-membered ring, which is situated 0.047 (6) Å out of the C4 plane (with an r.m.s. deviation of fitted atoms = 0.0009 Å). The dihedral angle between the naphthothiophene plane and the attached methoxyphenyl ring is 67.6 (2)°. In the crystal, a C—H⋯π interaction is observed between a methoxyphenyl C—H group and the outer benzene ring of the naphthothiophene moiety. The five-membered ring of the naphthothiophene moiety is disordered, with the S and opposite non-fused C atom approximately exchanging positions, with a site-occupancy factors of 0.808 (3) and 0.187 (3).
In the title compound, C30H31NO8, the tetrahydrofuran ring and the six-membered ring fused to it both display envelope conformations, both having the same C atom as the flap. The dihedral angles between the benzene ring of the benzo[d][1,3]dioxole ring system and the other two benzene rings are 53.73 (3) and 83.30 (2)°. An intramolecular N—H⋯O hydrogen bond is present. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains parallel to the c axis.
In the title compound, C39H38N2O4, the pyridinone ring adopts a twisted half-chair conformation with the N atom deviating by 0.3304 (1) and with the methylene C atom adjacent to the octahydroindolizine unit deviating by 0.444 (3) Å from the mean plane defined by the other four atoms. In the octahydroindolizine system, the pyrrolidine ring exhibits an envelope conformation, with the fused methyne C atom deviating by 0.6315 (1) Å from the mean plane defined by the other four atoms, and the piperidine ring exhibits a distorted chair conformation, as reflected in the puckering parameters Q = 0.568 (4) Å, θ = 1.5 (4) and ϕ = 161 (16)°. In the crystal pairs of weak C—H⋯O interactions form centrosymmetric dimers, which are further connected by C—H⋯π interactions. The crystal studied was a non-merohedral twin, with a domain ratio of 0.91:0.09.
In the title compound, C28H19FN2O, the phenanthrene fused with an imidazole ring, constituting an essentially planar tetracyclic system [maximum deviation = 0.032 (2) Å], makes dihedral angles of 60.83 (4) and 80.55 (4)° with the fluorobenzene and methoxybenzene rings, respectively. The dihedral angle between the the methoxybenzene and fluorobenzene rings is 69.45 (6)°. In the crystal, C—H⋯O hydrogen bonds connect the molecules into infinite strands along the b axis. The crystal structure is further consolidated by C—H⋯π interactions.
In the title coumarin derivative (also known as 2H-chromen-2-one or 2H-1-benzopyran-2-one), C17H11NO6, the coumarin ring system is nearly planar, with a dihedral angle of 3.35 (9)° between the pyrone and the benzene rings. The dihedral angle between the planes formed by the coumarin ring system and the benzene substituent is 54.60 (7)°, clearly showing the non-coplanarity of the whole aromatic system. The crystal studied was a non-merohedral twin; the minor component refined to approximately 0.44.
In the title compound, C28H24O6·CHCl3, the two 4-methoxybenzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost antiparallel, the benzene rings making a dihedral angle of 25.76 (7)°. The naphthalene ring system makes dihedral angles of 72.51 (7) and 73.33 (7)° with the benzene rings. In the crystal, the naphthalene molecules are linked by C—H⋯O interactions, forming a helical chain along the b-axis direction. A C—H⋯Cl interaction is also observed between the aroylated naphthalene and chloroform molecules. The chloroform molecule is disordered over two positions with site occupancies of 0.478 (5) and 0.522 (5).
The asymmetric unit of the title compound, C23H16OS, contains two independent molecules with opposite orientations of the methoxy groups bonded to the benzene rings. The napthobenzothiophene group in the two molecules is separated by an average distance of 3.912 Å. In both molecules, the napthobenzothiophene unit is almost planar, with r.m.s deviations of 0.0522 and 0.0143 Å. The methoxyphenyl ring makes dihedral angles of 67.0 (6)° and 70.4 (6)° with respect to the napthobenzothiophene ring system in the two molecules. The crystal packing features C—H⋯S, π–π [centroid–centroid distances = 3.666 (10) and 3.658 (10) Å] and C–H⋯π interactions, forming a sheet running along the b-axis direction.
The title compound, C21H21NO, consists of a carbazole skeleton with a methoxybenzene ring fused to the carbazole, and a butyl group attached to the carbazole N atom. The carbazole skeleton is nearly planar [maximum deviation = 0.078 (2) Å], and it is oriented at a dihedral angle of 4.22 (4)° with respect to the adjacent methoxybenzene ring.
In the title compound, C19H20N2O6, the azomethine [C=N = 1.269 (2) Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41 (11)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
2(16) loops. The dimers are connected by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (100).
In the title compound, C22H17ClN2O5, the nearly planar four-membered β-lactam ring [maximum deviation of 0.016 (1) for the N atom] makes dihedral angles of 53.07 (9), 73.19 (9) and 6.61 (9)° with the chloro-, nitro- and methoxybenzene rings, respectively. The crystal structure is stabilized by C—H⋯O hydrogen bonds, a weak C—H⋯π interaction and a π–π stacking interaction [centroid–centroid distance = 3.6513 (8) Å] between the methoxybenzene rings of inversion-related molecules.
In the title compound, C23H26FN3O6S, the two terminal aromatic rings form a dihedral angle of 49.26 (12)°. The cyclohexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456 (19) Å. The dihedral angles between the five-membered ring and the methoxybenzene and fluorobenzene rings are 33.56 (11) and 81.94 (12)°, respectively. The crystal structure displays N—H⋯O hydrogen bonds as well as weak intermolecular C—H⋯O interactions.
In the title molecule, C24H18INO6S, the heterocyclic thiazine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.381 (5) and −0.449 (5) Å, respectively, from the plane formed by the remaining atoms in the ring; the puckering parameters are Q = 0.550 (2) Å, θ = 61.7 (2)° and ϕ = 31.4 (3)°. The conformation is stabilized by an intramolecular O—H⋯O hydrogen bond. The two nonfused benzene rings lie almost parallel to each other [dihedral angle = 9.18 (4)°], with a separation of 3.754 (2) Å between the centres of gravity of the two rings, indicating strong π–π interactions.
The central β-lactam ring of the title compound, C23H21NO3, is almost planar (r.m.s. deviation = 0.032Å). The methoxybenzene ring is almost coplanar with the β-lactam ring [dihedral angle = 1.87 (11)°], whereas the tolyl ring is almost normal to it [75.73 (12)°]. The dihedral angle between the β-lactam ring and the O-bonded phenyl ring is 51.95 (12)°. An intramolecular C—H⋯O interaction generates an S(6) ring. The crystal structure features intermolecular C—H⋯O hydrogen bonds, forming layers parallel to (011), and weak C—H⋯π interactions. Two aromatic π–π stacking interactions [centroid–centroid distances = 3.6744 (12) and 3.6799 (11) Å] are also observed.
In the title molecule, C14H11N3O, the benzene ring is twisted by 14.0 (2)° from the plane through the fused ring system. In the crystal, π–π interactions [centroid–centroid distances = 3.609 (1), 3.639 (1) and 3.735 (1) Å] form stacks of molecules propagating along the b axis. The crystal packing is further stabilized by weak intermolecular C—H⋯O and C—H⋯N hydrogen bonds.
In the title compound, C13H13NO3S, the benzene ring of the benzenesulfonamide moiety is disordered with an occupancy ratio of 0.56 (3):0.44 (3), the disorder components being twisted at and angle of 21 (1)° to each other. The methoxybenzene group is roughly planar (r.m.s. deviation = 0.0144 Å) and the amide N atom is displaced from this plane by 0.090 (6) Å. The dihedral angles between the methoxybenzene group and the major and minor occupancy components of the disordered benzene ring are 54.6 (4) and 62.9 (5)°, respectively. In the crystal, infinite polymeric chains are formed along  due to intermolecular N—H⋯O hydrogen bonding. Weak C—H⋯π interactions are also present in the crystal.
In the title molecule, C24H18ClNO6S, the heterocyclic thiazine ring adopts a half chair conformation with the S and N atoms displaced by 0.318 (3) and 0.387 (3) Å, respectively, on the opposite sides from the mean plane formed by the remaining ring atoms. The benzene rings of the benzothiazin unit and methoxybenzoyl group are more or less coplanar, the dihedral angle between the mean planes of these rings being 12.37 (10)° while the chlorophenyl ring is inclined at 81.87 (4) and 73.30 (5)°, respectively, to these rings. The molecular structure is consolidated by intramolecular O—H⋯O and C—H⋯N interactions and the crystal packing is stabilized by weak intermolecular C—H⋯O hydrogen bonds.
In the title compound, C20H18N4O2, the imidazopyridine fused ring system is almost perpendicular to the benzene ring [dihedral angle = 87.6 (5)°]. The pyridine ring makes a dihedral angle of 35.5 (5)° with the mean plane of the imidazopyridine fragment. The crystal structure is stabilized by an aromatic π–π stacking interaction between the phenyl rings of neighbouring molecules [centroid–centroid distance = 3.772 (2) Å, interplanar distance = 3.546 (2) Å and slippage = 1.286 (2) Å].
In the title compound, C13H18N2O2S, the 4-methoxybenzoyl fragment is approximately planar [maximum deviation = 0.057 (2) Å] and twisted relative to the thioamide fragment, forming a dihedral angle of 86.62 (6)°. The two Csp
2 bonds in the thiourea unit differ significantly in length [1.327 (2) and 1.431 (2) Å]. In the crystal, N—H⋯O hydrogen bonds link the molecules into chains parallel to .
In the title compound, C27H21N3O3, the cyclohexa-1,3-diene ring has a screw-boat conformation, and the fused ring system is folded, the dihedral angle between the outer benzene rings being 27.61 (6)°. The N-acetylacetamide residue (r.m.s. deviation = 0.0935 Å) has an anti conformation and is essentially perpendicular to the benzene ring to which it is connected [dihedral angle = 89.14 (6)°]; the methoxybenzene group is also twisted out of this ring [dihedral angle = 59.47 (7)°]. The three-dimensional architecture is consolidated by C—H⋯O and C—H⋯π interactions.
In the title compound, C25H22N2O2, the indole rings are individually almost planar [with maximum deviations of 0.0116 (19) and 0.0113 (18) Å] and are almost orthogonal to each other, making a dihedral angle of 84.49 (6)°. The benzene ring is inclined at 72.83 (9) and 80.85 (9)° with respect to the indole rings. In the crystal, molecules are linked by N—H⋯O interactions into chains running parallel to the c axis. The crystal structure is further stabilized by C—H⋯π interactions.
The title molecule, C17H14F3NO4, consists of two nearly planar fragments, viz. the 2-benzyloxypyridine (r.m.s. deviation 0.016 Å) and (E)-3-methoxyprop2-enoic (r.m.s. deviation 0.004 Å) units, which form a dihedral angle of 84.19 (7)°. In the crystal, pairs of O—H⋯O hydrogen bonds link molecules into dimers that are further connected by C—H⋯O and C—H⋯F interactions into (001) layers. In addition, π–π stacking interactions are observed within a layer between the pyridine and benzene rings [centroid–centroid distance = 3.768 (2) Å]. The F atoms of the trifluoromethyl group are disordered over two sets of sites in a 0.53 (4):0.47 (4) ratio.
In the title compound, C23H17N3O, significant deviations from planarity are evidenced. This is quantified in the dihedral angles formed between the central amino-benzene ring and the benzene rings of the methoxybenzene [67.93 (8)°] and 1,2-dihydronaphthalene [28.27 (8)°] residues. In the crystal the amino-H atoms form hydrogen bonds to the methoxy-O atom and to one of the cyano-N atoms to generate a two-dimensional array with a zigzag topology that stacks along the (
In the title compound, C15H15N5O4, a nitroformazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204 (6) Å and adopts a closed syn,s-cis configuration with an intramolecular N—H⋯N hydrogen bond. The formazan plane makes dihedral angles of 4.32 (5) and 24.35 (5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58 (8)°. In the crystal, C—H⋯O interactions connect the molecules into an inversion dimer.
The central residue in the title compound, C21H21N3O3, is close to planar (r.m.s. deviation = 0.0753 Å for all non-H atoms from OH to NH inclusive): the hydroxy, amino and carbonyl groups all lie to the same side of the molecule (the conformation about the ethene bond is Z), facilitating the formation of intramolecular O—H⋯O and N—H⋯O hydrogen bonds that close S(6) rings. However, overall the molecule is twisted as the terminal aromatic rings are not coplanar with the central plane [dihedral angles = 20.55 (5) and 80.90 (4)° for the N-bound phenyl ring and the methoxybenzene ring, respectively]. The dihedral angle between the rings is 82.14 (7)°. Supramolecular layers in the ac plane mediated by C—H⋯π interactions are found in the crystal.