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 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)°.
The title compound, C26H21Cl2NO, crystallizes with two symmetry-independent molecules (A and B) in the asymmetric unit. In both molecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in molecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in molecule A, and 26.4 (1) and 19.6 (1)° in molecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in molecules A and B, respectively. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the two independent molecules into dimers.
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.
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 crystal structure of the title compound, C28H21Cl2N, π–π interactions link pairs of molecules into centrosymmetric dimers with a distance of 3.756 (3) Å between the centroids of the pyridine rings. Weak intermolecular C—H⋯Cl hydrogen bonds further link these dimers into chains propagating along . The pyridine ring forms dihedral angles of 21.52 (1) and 55.87 (2)°, respectively, with the phenyl ring and the 4-chlorophenyl ring.
In the title compound, C23H22N2O2S2, the dihedral angles between the 4-methoxy-substituted phenyl ring and the other two phenyl rings are 84.4 (4) and 77.7 (1)°, respectively, while the dihedral angle between the two phenyl rings is 57.5 (2)°. The amino group is not involved in an N—H hydrogen bond. The crystal packing is established by intermolecular C—H⋯O packing interactions involving a relatively rare weak three-center hydrogen bond between the keto O atom and H atoms of the two nearby phenyl rings, which link the molecules into chains running along the a axis. Additional weak intermolecular hydrogen-bond interactions between the 4-methoxy O atom and one of the phenyl rings and provide added stability to the crystal packing.
In the title compound, C32H31NO4, the dihedral angles between the indoline ring and the two phenyl rings are 48.11 (9) and 66.55 (9)°. The molecular conformation is stabilized by a weak intramolecular π–π stacking interaction [centroid–centroid distance = 3.6377 (7) Å]. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen bonds, which form chains along the b axis.
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).
The molecular structure of the title compound, C18H16O3, is roughly planar; the maximum deviation of the indanone ring system is 0.027 (1) Å and it makes a dihedral angle of 2.69 (3)° with the phenyl ring. The torsion angles between the two methoxy groups and the indanone ring are −14.67 (11) and −1.11 (12)°. In the crystal, molecules are connected into a ribbon along the a axis via weak intermolecular C—H⋯O hydrogen bonds. Weak intermolecular C—H⋯π and π–π [centroid–centroid distance = 3.7086 (6) Å] interactions are also observed.
The title compound, C18H14N6O2S, exists in trans and cis configurations with respect to the two acyclic C=N bonds [bond lengths = 1.2835 (9) and 1.3049 (9) Å]. The 3,6-dihydro-2H-1,3,4-thiadiazine ring adopts a half-boat conformation. The oxadiazol-3-ium ring makes dihedral angles of 53.70 (4) and 60.26 (4)° with the two phenyl rings. In the crystal, molecules are linked via pairs of intermolecular N—H⋯N hydrogen bonds, generating R
2(8) ring motifs, and are further linked via intermolecular C—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network. The short intermolecular distance between the oxadiazol-3-ium rings [3.4154 (4) Å] indicates the existence of a π–π interaction.
In the title compound, C14H13N3O3, the dihedral angle between the pyridine and benzene rings is 15.17 (18)°. The torsion angle of the –C=N—N—C– system between two aromatic rings is −167.1 (3)°. Intramolecular O—H⋯N hydrogen bonding generates S(6) rings. In the crystal structure, neighbouring molecules are linked together along the c axis by weak intermolecular C—H⋯O and N—H⋯O hydrogen bonds, generating R
2(6) ring motifs.
The title compound, C16H16N2OS2, was obtained from a condensation reaction of benzyl dithiocarbazate and 4-methoxybenzaldehyde. In the molecule, the methoxyphenyl ring and dithiocarbazate fragment are located on opposite sides of the C=N double bond, showing an E configuration. The dithiocarbazate fragment is approximately planar (r.m.s. deviation = 0.0052 Å); its mean plane is oriented at dihedral angles of 8.19 (15) and 85.70 (13)°, respectively, to the methoxyphenyl and phenyl rings. Intermolecular N—H⋯S hydrogen bonds and weak C—H⋯π interactions are observed in the crystal structure.
In the title compound, C21H17N3O3, the dihydroquinazoline ring adopts a screw-boat conformation and its stereogenic C atom has an S configuration. The dihedral angle between the mean planes of the two hydroxyphenyl rings is 86.61 (12)°. The amino H atom forms an intramolecular hydrogen bond with a phenol O atom, while the hydrazine N atom acts as an acceptor for the H atom of the other phenol group. In the crystal, O—H⋯N and O—H⋯O hydrogen bonds and weak C—H⋯centroid(π-ring) intermolecular interactions are observed, forming chains along [1-10] and .
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)°.
The asymmetric unit of the title compound, C24H21FN2O5S, consists of two crystallographically independent molecules. In each molecule, the central dihydropyrimidine ring is significantly puckered and adopts a conformation which is best described as an intermediate between a boat and a screw boat. The least-squares planes of the dihydropyrimidine rings are almost coplanar with the fluoro-substituted benzene rings, making dihedral angles of 9.04 (7) and 6.68 (7)°, and almost perpendicular to the methoxy-substituted benzene rings with dihedral angles of 89.23 (7) and 88.30 (7)°. In the molecular structure, S(6) ring motifs are formed by C—H⋯O and C—H⋯S hydrogen bonds. In the crystal, molecules are linked into a three-dimensional network by intermolecular C—H⋯O and C—H⋯F hydrogen bonds. The crystal structure is further stabilized by a C—H⋯π interaction.
In the title compound, C24H22N2O4S, the central pyrimidine ring is significantly puckered, assuming a conformation intermediate between a boat and a screw boat. The nearly planar thiazole ring (r.m.s. deviation = 0.0258 Å) is fused with the pyriamidine ring, making a dihedral angle of 9.83 (7)°. The carboxyl group is in an extended conformation with an anti-periplanar orientation with respect to the dihydropyrimidine ring. The benzene ring linked at the chiral C atom is perpendicular to the pyrimidine ring [dihedral angle = 85.21 (8)°] whereas the phenyl ring is nearly coplanar, making a dihedral angle of 13.20 (8)°. An intramolecular C—H⋯S hydrogen bond is observed. The crystal packing is influenced by weak intermolecular C—H⋯π interactions and π–π stacking between the thiazole and phenyl rings [centroid–centroid distance = 3.9656 (10) Å], which stack the molecules along the c axis.
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.
The title molecule, C17H13NO3, adopts a Z configuration about the central olefinic bond. The 2-phenyl ring is almost coplanar with the plane of the oxazolone ring system, making a dihedral angle of 2.03 (11)°. The crystal structure is stabilized by π–π interactions between the oxazolone ring and phenyl ring of a neighbouring molecule [centroid–centroid distance = 3.550 (3)Å], and by two weak intermolecular C—H⋯π interactions. In addition, the crystal structure exhibits one weak intramolecular C—H⋯N hydrogen bond.
In the title compound, C18H20N2O5, the pyrrolidine ring adopts an envelope conformation with the C atom bonded to the methyl groups as the flap. The dihydroisoxazole ring is essentially planar (r.m.s. deviation = 0.041 Å) and forms a dihedral angle of 65.19 (6)° with the phenyl ring. In the crystal, neighbouring molecules are linked into chains along  by intermolecular C—H⋯O hydrogen bonds and weak C—H⋯π interactions involving the phenyl ring.
In the title molecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak intermolecular C—H⋯O hydrogen bonds link molecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak intermolecular C—H⋯π interactions involving the benzene rings.
In the title compound, C38H28F2N2O2, the piperidine ring adopts a chair conformation and the pyrrolidine ring adopts an envelope conformation with the spiro C atom as the flap atom. The naphthalene ring system makes dihedral angles of 39.89 (8), 35.33 (8) and 46.45 (8)° with the two fluoro-substituted benzene rings and the phenyl ring, respectively, while the dihedral angle between the two fluoro-substituted benzene rings is 75.21 (10)°. An intramolecular O—H⋯N hydrogen bond generates an S(5) ring. In the crystal, molecules are connected by C—H⋯O hydrogen bonds, forming supramolecular chains propagating along the c-axis direction. Weak C—H⋯π interactions further consolidate the structure.
In the title compound, C14H8F5NO, the dihedral angle between the planes of the pentafluorophenyl and phenyl rings is 18.34 (5)°. An intermolecular N—H⋯O hydrogen bond between the amide groups connects these molecules to form an infinite chain through the crystal structure. One weak intermolecular C—H⋯O contact and one π–π interaction [centroid–centroid distance = 3.772 (3) Å] are also involved in crystal structure stabilization between the phenyl rings.
The asymmetric unit of the title compound, 2C15H9F6N3O·H2O, contains two independent Schiff base molecules and one water molecule. Both Schiff base molecules exist in an E configuration with respect to the C=N double bonds and the dihedral angles between the benzene and the pyridine rings in the two molecules are 17.53 (12) and 20.62 (12)°. In the crystal structure, molecules are linked by intermolecular N—H⋯O and C—H⋯O hydrogen bonds into infinite one-dimensional chains along the a axis. In addition, intermolecular O—H⋯N, O—H⋯F, C—H⋯F and C—H⋯O hydrogen bonds further link these chains into a three-dimensional network. Weak π–π interactions with centroid–centroid distances in the range 3.6495 (17)–3.7092 (16) Å are also observed.
In the title compound, C19H11N3O2SClBr, the chromene ring system and the thiazole ring are each approximately planar, with maximum deviations of 0.033 (3) Å and 0.006 (3) Å, respectively. The molecule adopts an E configuration about the central C=N double bond. The central thiazole ring makes dihedral angles of 9.06 (14)° and 12.07 (11)° with the chloro-substituted phenyl ring and the chromene ring, respectively. The molecular structure features a short C—H⋯O contact, which generates an S(6) ring motif. The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds, which link the molecules into chains along the b axis. π–π stacking interactions [centroid-centroid distance = 3.4813 (15) Å] are also present.