8 research outputs found
Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone
The title compound, C[subscript 26]H[subscript 18]F[subscript 3]N[subscript 3]O[subscript 2]S, a 2-methÂoxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays no structural relationships with them. The thioÂphene ring is disorder free and the -CF[subscript 3] group exhibits disorder, respectively, in contrast and similar to that observed in the 4-methyl- and 4-chloro-substituted derivatives. The torsion angle which defines the twist of the thioÂphene ring is -69.6 (2)° (gauche) in the title compound, whereas it is antiÂclinal in the 4-methyl- and 4-chloro-substituted derivatives, with respective values of 99.9 (2) and 99.3 (2)°. The absence of disorder in the thioÂphene ring facilitates one of its ring C atoms to participate in the lone interÂmolecular C-H...O hydrogen bond present in the crystal, leading to a characteristic C(5) chain graph-set motif linking molÂecules related through glides along [010]. An intraÂmoleculr C-H...N hydrogen bond also occurs
8-(2-ChloroÂphenÂyl)-1-(4-chloroÂphenÂyl)-4-[(E)-(2-chloroÂphenÂyl)methylÂidene]-6-methyl-4,5,6,7,7a,8-hexaÂhydro-1,2,4-oxadiazolo[5,4-d]pyrido[3,4-c][1,5]benzothiaÂzepine
In the title compound, C33H26Cl3N3OS, the oxadiazole, piperidine and benzothiaÂpezine rings adopt envelope, chair and twist-boat conformations, respectively. In the crystal, the molÂecular aggregation is characterized by chains of centrosymmetrically related pairs connected through Cl⋯Cl interÂactions [3.533 (2) Å], extending parallel to (202)
Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile
In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydrofuran ring is close to twisted (4T5), with parameters Q = 0.1856 (16) Å and φ = 313.5 (5)°. Molecules are interconnected via a C—H...N and a C—H...O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R44(28) and R44(36) graph-set motifs. The furan O atom does not participate in intermolecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7 (8) Å3
2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile
In the title compound, C20H18ClN3, the cyclooctene ring exhibits conformational disorder of two methylene groups with a site-occupation factor of 0.859 (6) for the major occupied site. In the crystal, molecules are connected into inversion dimers via pairs of weak N—H...N hydrogen bonds, forming an R22(12) graph-set motif. These dimers are further connected via weak N—H...Cl interactions into chains running along [011]. There are also C—H...N interactions present in the crystal
5-Benzoyl-2-(1H-indol-3-yl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydrofuran-3-carbonitrile
In the title compound, C29H24N2O2, the hydrofuran ring is twisted with puckering parameters Q = 0.1553 (16) Å and ϕ = 305.0 (6)°. In the crystal, the graph-set motifs of the interaction pattern are an R22(16) motif involving dimers through N—H...N hydrogen bonds across centres of inversion and a C(6) motif through C—H...O hydrogen-bond between glide-related molecules. Together, these generate [101] ladder-like chains