3-Phenoxymethyl-6-phenyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole

In the title compound, C16H12N4OS, the bicyclic triazolothiadiazole core is approximately planar, with an r.m.s. deviation of 0.018 Å. The phenyl rings are inclined to its mean plane by 7.66 (7) and 71.79 (7)°. In the crystal, molecules are linked via a C—H...π interaction and a π–π interaction [intercentroid distance = 3.2942 (9) Å] involving inversion-related triazole rings. These interactions result in the formation of chains propagating along [10-1]

Methyl 2-{[(6S*,7R*,8S*)-7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate

In the title compound, C23H23ClN2O4S, the 4-chlorophenyl ring is inclined to the pyridine ring of the isoquinoline group by 71.86 (13)°. In the crystal, molecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers, which stack along the b-axis direction. The methyl acetate group attached to the S atom is disordered over two sites in a 50:50 ratio, which appears to prevent close intermolecular contacts between the methyl groups

Ethyl 3-amino-4-(4-chlorophenyl)-2-[(4-methoxyphenyl)carbamoyl]-6-phenylthieno[2,3-b]pyridine-5-carboxylate

The conformation of the title molecule, C30H24ClN3O4S, is partially determined by an intramolecular N—H...O hydrogen bond, forming an S(6) loop, and an N—H...π interaction involving the centroid of the 4-chlorophenyl ring. The thienopyridine bicyclic system is almost planar with an r.m.s. deviation of 0.019 Å. Its mean plane is inclined to the phenyl ring, the 4-chlorophenyl ring and the 4-methoxyphenyl ring by 36.19 (7), 81.67 (7) and 12.75 (7)°, respectively. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(20) ring motif. Within the dimers, which stack along the b-axis direction, there is a weak π–π interaction [centroid-to-centroid distance = 3.7936 (9) Å] involving inversion-related thiophene and pyridine rings

Crystal structure of ethyl 3-amino-6-methyl-2-[(4-methylphenyl)carbamoyl]-4-[(E)-2-phenylethenyl]-thieno[2,3-b]pyridine-5-carboxylate monohydrate

In the title molecule, C27H25N3O3S center dot H2O, the dihedral angle between the planes of the thienyl ring and the pendant p-tolyl group is 39.25 (6)degrees, while that between the pyridine ring and the pendant phenyl ring is 44.37 (6)degrees. In addition, there is a slight twist in the bicyclic core, with a dihedral angle of 2.39 (4)degrees between the thienyl and pyridine rings. The conformation of the carbamoyl moiety is partially determined by an intramolecular N-H center dot center dot center dot O hydrogen bond. In the crystal, complementary N-H center dot center dot center dot O hydrogen bonds form dimers which are then associated into chains parallel to the c axis through O-H center dot center dot center dot N hydrogen bonds involving the water molecule of crystallization. Electron density associated with an additional solvent molecule of partial occupancy and disordered about a twofold axis was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s)

Piperidinium 4-(4-chlorophenyl)-3-cyano-5-ethoxycarbonyl-6-methylpyridine-2-thiolate

In the crystal of the title salt, C5H12N+·C16H12ClN2O2S−, the cation adopts a chair conformation, and N—H...N and N—H...S hydrogen bonds form chains of alternating cations and anions running parallel to the c axis. The crystal structure contains a solvent-accessible void of 50 Å3, but no solvent molecule is located there

7-Acetyl-8-(4-chlorophenyl)-3-ethylsulfanyl-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

In the title compound, C22H23ClN2O2S, the chlorophenyl ring is inclined to the pyridine ring of the isoquinoline ring system by 79.78 (4)°. The cyclohexane ring adopts a flattened boat conformation. In the crystal, dimers form through complementary sets of inversion-related O—H...O and C—H...O hydrogen bonds. These are connected into zigzag chains along the c-axis direction by pairwise C—H...N interactions that also form inversion dimers

2-({5-[(4-Chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide

The title molecule, C23H19ClN4O2S, is in an `extended' conformation. In the crystal, pairwise N—H...N and C—H...O hydrogen bonds lead to the formation of `stair-step' chains. C—H...π interactions further contribute to the consolidation of the molecular packing. The 4-chlorophenyl group is disordered over two sets of sites in a 0.948 (2):0.052 (2) ratio. The dihedral angle between the two components of the disordered chloro-substituted benzene ring is 15.76 (9) °

Ethyl 3-amino-2-cyano-4-(4-methoxyphenyl)-6- methylthieno[2,3-b]pyridine-5-carboxylate

In the title molecule, C19H17N3O3S, the bicyclic core is planar [maximum deviation = 0.0205 (1) Å] In the crystal, the molecules stack along the a-axis direction through π–π-stacking interactions between the bicyclic units with a small alternation in the interplanar distances along the stack. The stacks are held together by N—H...N and C—H...O hydrogen bonds. The carboethoxy substituent is disordered over several closely spaced sites and was modeled as having two-component disorder [occupancy ratio 0.548 (16):0.452 (16)]. The final refinement was as a two-component twin

Ethyl 3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5,6-diphenylpyridazine-4-carboxylate

The packing in the crystal of the title molecule, C28H25N3O3S, is aided by intermolecular N—H...O and C—H...O hydrogen bonds. In the crystal, the ethyl group of the ester is disordered over two sets of sites with refined occupancies of 0.760 (8) and 0.240 (8)

Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate

In the title compound, C16H13ClN2O2S, the dihedral angle between the 4-chlorophenyl ring and the pyridine ring is 63.53 (6)°. There is an intramolecular C—H...O contact present. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers. The dimers are linked by C—H...O and C—H...N hydrogen bonds, forming slabs parallel to the ab plane