The benzyl residue in the title compound, C21H23N5·0.5H2O, is oriented at a dihedral angle of 83.8 (3)° towards the 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine system. The piperidine ring adopts a chair conformation with the cis substituents displaying a torsion angle of −45.91 (16)°. In the crystal, molecules are accumulated as racemic dimers by two intermolecular hydrogen bonds between the pyrrolopyridine systems. Another hydrogen bond is formed between the imidazole ring and the cocrystallized water molecule, which is located on a twofold rotation axis.
The molecule of the title compound, C31H31N3O5S, adopts a folded conformation, with the sulfonyl-bound phenyl ring lying over the pyrimidine ring [dihedral angle = 12.04 (6)° and centroid–centroid separation = 3.6986 (8) Å]. The pyrrolidine ring adopts a twist conformation, the dihydropyran ring is in a half-chair conformation and the two rings are cis-fused. The tosyl group is attached to the pyrrolidine ring in an equatorial position while the benzyl group is axially attached. The molecular structure is stabilized by weak C—H⋯O hydrogen bonds and C—H⋯π interactions. In the crystal, pairs of molecules related by inversion symmetry are linked by C—H⋯O hydrogen bonds, forming chains propagating along the c axis which are cross-linked into a three-dimensional framework by further C—H⋯O links.
In the two molecules of the asymmetric unit of the title compound, C12H11N3O4, the seven-membered diazepine ring adopts a boat conformation (with the two phenylene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47 (10) and 54.69 (9)° with the benzene ring of the benzodiazepine unit in the two molecules. In the crystal, intermolecular N—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.8023 (7)–3.8946 (7) Å] lead to the formation of a three-dimensional framework.
In the molecule of the title compound, C17H16N2O3S, the phenyl ring is oriented with respect to the thiophene and succinimide rings at dihedral angles of 88.08 (3) and 57.81 (3)°, respectively; the dihedral angle between the thiophene and succinimide rings is 35.69 (3)°. The isoxazole ring adopts an envelope conformation with the N atom at the flap position. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules into infinite chains along the b axis. Weak C—H⋯π interactions may further stabilize the structure.
In the title compound, C32H32N2O3S, the pyrrolidine ring adopts an envelope conformation with the methine C atom nearest to the phenyl ring as the flap atom. The tetrahydropyridine ring has a half-chair conformation. The two rings are trans-fused. The phenyl ring bound to the tetrahydropyridine is oriented almost perpendicular [dihedral angle = 86.35 (10)°] to the fused benzene ring. The dihedral angle between the benzylphenyl ring and the sulfonyl-bound phenyl ring is 69.43 (10)°. A very weak N—H⋯π interaction is observed in the molecular structure. In the crystal, molecules translated one unit along the b axis are linked into C(10) chains by C—H⋯O hydrogen bonds; adjacent chains are linked via C—H⋯π interactions, forming a two-dimensional network parallel to the bc plane.
The asymmetric unit of the title compound, C19H11F3N2O2, contains two crystallographically unique molecules which differ in the rotation of a phenyl ring and a –CF3 substituent. The dihedral angles involving the pyrrole ring and the attached phenyl ring are 62.82 (8) and 71.54 (7)° in the two molecules. The difference in the rotation of the CF3 groups with respect to the pyrrolo rings to which they are attached is 23.5(1)°. For one molecule, there is a close contact between an H atom and the centroid of the phenyl ring of an adjacent molecule (2.572 Å). A similar contact is lacking in the second molecule. In the crystal, N—H⋯O interactions connect adjacent molecules into a chain normal to (01). Crystallographically unique molecules alternate along the hydrogen-bonded chains.
The crystal structure of the title compound, C17H16N2O3S, exhibits intramolecular C—H⋯S and intermolecular C—H⋯S and C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 3.033 (2) Å and C—S⋯N = 142.76 (9)°] interactions, and C—H⋯π interactions; these interactions generate S(4), S(6) and R
2(14) ring motifs. The isoxazole ring adopts an envelope conformation, with the N atom displaced by 0.672 (2) Å from the plane of the other ring atoms. The thiophene ring is oriented with respect to the succinimide and phenyl rings at dihedral angles of 40.03 (12) and 5.21 (13)°, respectively. The dihedral angle between the succinimide and phenyl rings is 39.38 (12)°.
In the title compound, C21H19NO2, the six-membered heterocycle assumes a screw-boat conformation. The phenyl ring is oriented with respect to the pyrrole ring at a dihedral angle of 64.76 (10)°. An intramolecular C—H⋯O hydrogen bond helps to stabilize the molecular structure. There are weak C—H⋯π interactions between inversion-related molecules in the crystal.
In the title compound, C36H31ClN2O4Se, the four-membered β-lactam ring is fused to a pyrrolidine ring. The central five-membered ring of the fused tricyclic system exhibits an envelope conformation with the N atom as the flap, while the other five-membered ring exhibits a twist conformation. The chlorophenyl ring is almost perpendicular to the pyrrolidine ring, making a dihedral angle of 73.45 (1)°. The crystal structure is stabilized by weak intermolecular C—H⋯O interactions and the packing is further enhanced by C—H ⋯N interactions and π–π interactions between benzene rings of tetralone groups in molecules related by an inversion center, with a centroid–centroid separation of 3.8923 (2) Å.
The crystal structure of the title compound, C20H15FN2O2, contains two crystallographically independent molecules, which are related by a pseudo-inversion center and linked into dimers via intermolecular N—H⋯N hydrogen bonds. The 4-fluorophenyl ring of molecule A makes dihedral angles of 17.17 (16) and 62.25 (15)°, respectively, with the phenyl and pyridine rings. The 4-fluorophenyl ring of molecule B makes dihedral angles of 8.50 (16) and 64.59 (15)°, respectively, with the phenyl and pyridine rings. The dihedral angle between the pyridine ring and the phenyl ring of molecule A [60.97 (15)°] is bigger than in molecule B [59.49 (15)°]. The dihedral angle between the two pyridine rings is 1.37 (14)° and between the two phenyl rings is 3.64 (16)°.
In the molecule of the title compound, C22H22N4O3S, the benzene and phenyl rings are oriented at a dihedral angle of 88.72 (4)°. The other two rings have flattened-boat conformations. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link the molecules.
In the title compound, C31H29BrN2O2S, the pyrrolidine ring is in a twist conformation and the tetrahydropyridine ring adopts an envelope conformation with the methine C atom adjacent to the NH group as the flap atom; the two rings are trans-fused. The bromobenzene ring and the nearest phenyl ring form a dihedral angle of 82.72 (10)°. The benzyl phenyl and the tosyl phenyl rings are oriented at a dihedral angle of 75.57 (11)°. An intramolecular N—H⋯π interaction is observed. In the crystal, molecules are linked into chains running along  by C—H⋯O hydrogen bonds and the chains are cross-linked via weak C—H⋯π interactions.
The crystal structure of the title compound, C12H14N2O3S, exhibits intramolecular C—H⋯S and intermolecular C—H⋯S, C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 2.980 (2) Å, C—S⋯N = 145.78 (17)°] and C—H⋯π interactions; these interactions generate two C(5) chains and S(4), S(6) and R
4(28) ring motifs. The isoxazole ring has an envelope conformation; the N atom, which is the flap atom, is displaced by 0.261 (2) Å from the plane defined by the remaining four atoms. The dihedral angle between the succinimide and thiophene rings is 46.8 (2)°.
In the isoquinoline ring system of the title molecule, C22H20N2O5, the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-azaspiro ring is essentially planar [maximum deviation = 0.026 (1) Å] and forms dihedral angles of 22.53 (5) and 64.46 (5)° with the benzene and phenyl rings, respectively. The molecular structure is stabilized by a weak intramolecular C—H⋯O hydrogen bond, which generates an S(7) ring motif. In the crystal, molecules are linked via weak intermolecular C—H⋯O and C—H⋯N hydrogen bonds into layers parallel to (102).
In the title compound, C40H29N3O3S, the pyran ring adopts a sofa conformation, the thiazolidine ring adopts a twisted conformation and the pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and forms dihedral angles of 4.8 (1) and 39.0 (1)°, respectively, with the benzene rings attached to the N and C atoms. The acenapthylene ring system is approximately planar [maximum deviation = 0.058 (2) Å] and forms dihedral angles of 85.9 (1) and 48.5 (1)°, respectively, with the pyrollothiazole and chromene ring systems. The molecular conformation is stabilized by three weak intramolecular C—H⋯O hydrogen bonds, which generate one S(8) and two S(6) ring motifs. In the crystal, pairs of C—H⋯O hydrogen bonds link centrosymmetrically related molecules into dimers, generating R
2(14) ring motifs. The crystal packing also features pairs of C—H⋯π interactions, which link the dimers into a supramolecular chain along the b axis.
In the title compound, C32H32N2O2S, the pyrrolidine ring adopts a twist conformation while the tetrahydropyridine ring is in a distorted half-chair conformation. The two rings are trans-fused. The dihedral angle between the sulfonyl and benzyl phenyl rings is 72.54 (14)°. The molecular structure is stabilized by C—H⋯O hydrogen bonds, and N—H⋯π interactions involving the benzyl phenyl ring. The screw-related molecules are linked into chains along the b axis by C—H⋯O hydrogen bonds and C—H⋯π interactions. Adjacent inversion-related chains interact via C—H⋯π interactions, forming a two-dimensional network parallel to the bc plane.
The asymmetric unit of the title compound, C22H16N2O4·2CH4O, contains one half-molecule and a methanol solvent molecule. The aromatic ring is oriented at a dihedral angle of 82.91 (3)° with respect to the planar indole ring systems. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into chains along the b axis.
The pyrrolopyridine system in the title compound, C27H29N5O4S, is oriented at a dihedral angle of 71.20 (5)° towards the phenyl ring of the tosyl residue and at a dihedral angle of 45.43 (4)° towards the benzyl group. The structure shows an intramolecular N—H⋯O and a weak intramolecular N—H⋯N hydrogen bond. The piperidine ring adopts a chair conformation, with the cis substituents displaying a torsion angle of −54.59 (18)°.
In the title molecule, C26H20F3N3O2, the two central five-membered rings form a dihedral angle of 62.94 (8)°. The absolute configuration was determined by analysis of Bijvoet pairs based on resonant scattering of light atoms, yielding a Hooft parameter y = −0.05 (11). Notable intra- and intermolecular contacts include C—H⋯O and C—H⋯π(arene) hydrogen bonds.
In the title compound, C39H36N2O4S, the piperidine ring adopts a twisted half-chair conformation. In the pyrrolothiazole fused-ring system, the pyrrole ring adopts an envelope conformation (with the C atom bound to the thiazole ring being the flap atom) and the thiazole ring also exhibits an envelope conformation (with the N atom bound to the pyrrole ring as the flap). The molecular structure features a weak intramolecular C—H⋯O interaction. In the crystal, a C—H⋯O interaction forms a linear chain along the diagonal of the ac plane, generating a C(14) graph-set motif. A weak C—H⋯π interaction also occurs.
In the title compound, C32H30N2O7, the piperidone ring adopts a chair conformation and the five-membered ring of the dihydroindenone ring system adopts an envelope conformation. Intramolecular O—H⋯N and C—H⋯O hydrogen bonds occur. The dihedral angle between the two hydroxy-subsituted methoxyphenyl rings is 71.12 (5)°. In the crystal structure, molecules are connected by intermolecular O—H⋯O hydrogen bonds, forming layers parallel to (001). These layers are further connected by C—H⋯O hydrogen bonds, forming a three-dimensional network.
In the title compound, C32H30N2O3, the piperidin-4-one and the two fused pyrrolidine rings adopt envelope conformations. The two methylphenyl rings are oriented at dihedral angle of 20.36 (7) and 56.24 (7)°, respectively, with respect to the indanone ring system. In the crystal structure, intermolecular O—H⋯N and C—H⋯O hydrogen bonds link the molecules into chains propagating along . Weak C—H⋯π interactions are also observed.
In the title compound, C18H11ClN6, the pyrrole, pyrimidine and tetrazole rings form a nearly planar fused trihetrocyclic system with an r.m.s. deviation of 0.0387 (13) Å, to which the 4-chlorophenyl group and the phenyl group are substituted at the 7 and 9 positions, respectively. The dihedral angles between the pyrrole ring and the 4-chlorophenyl and phenyl rings are 32.1 (4) and 7.87 (7)°, respectively. In the crystal, weak intermolecular C—H⋯N and C—H⋯Cl hydrogen bonds link the molecules into a layer parallel to the (001) plane. The layers are further connected by π–π stacking interactions [centroid–centroid distances: 3.8413 (8) and 3.5352 (8) Å]. Intramolecular C—H⋯N hydrogen bonds are also present.
There are two crystallographically independent molecules (A and B) in the asymmetric unit of the title compound, C25H22N4O2S, with almost identical molecular conformations. The hydroxyphenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1 (2) and 7.4 (2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6 (3) and 83.3 (2)° in molecule A, and 89.2 (3) and 82.2 (2)° in molecule B. One intramolecular O—H⋯N hydrogen bond is present in each molecule. Weak intermolecular C—H⋯O hydrogen bonds consolidate the crystal packing.
In the crystal structure of the title compound, C23H21N3O2S, all ring atoms of the imidazo[1,2-a]benzothieno[3,2-d]pyrimidine system are essentially coplanar and the phenyl ring is twisted with respect to it [dihedral angle = 72.60 (9)°]. The crystal packing is mainly governed by C—H⋯π hydrogen bonds and intermolecular π–π interactions, with interplanar distances of 3.54 (1) and 3.56 (1) Å, and with distances between adjacent ring centroids of 3.72 (1) and 3.80 (1) Å. The three terminal C atoms of the butyl group are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.