216 research outputs found
3-(p-Anisyl)sydnone
In the title sydnone compound [systematic name: 3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate], C9H8N2O3, the essentially planar oxadiazole ring [maximum deviation = 0.005 (1) Å] is inclined at a dihedral angle of 30.32 (8)° with respect to the benzene ring. In the crystal, adjacent molecules are interconnected by intermolecular C—H⋯O hydrogen bonds into sheets lying parallel to (100). Weak intermolecular π–π interactions [centroid–centroid distance = 3.5812 (8) Å] further stabilize the crystal packing
Ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
The asymmetric unit of the title compound, C22H22O4, consists of two independent molecules (A and B) which differ significantly in the orientations of ethyl carboxylate groups. The phenyl ring in molecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The cyclohexenone ring of both molecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12 (7)° in molecule A and 70.8 (3)° in molecule B [57.5 (4)° in the minor disorder component]. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds and C—H⋯π interactions
4-(4-Bromobenzylideneamino)-1-(diphenylaminomethyl)-3-[1-(4-isobutylphenyl)ethyl]-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C34H34BrN5S, the two phenyl rings of the diphenylaminomethyl group are inclined at an angle of 73.86 (8)° and they form dihedral angles of 74.04 (8) and 48.74 (8)° with the triazole ring. Intramolecular C—H⋯S hydrogen bonds generate S(6) and S(5) ring motifs. The crystal structure is stabilized by weak C—H⋯π interactions
3-Phenyl-4-{3-[(p-tolyloxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}sydnone
In the title compound (systematic name: 3-phenyl-4-{3-[(p-tolyloxy)methyl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), C20H16N6O3S, an intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The 1,2,3-oxadiazole and 1,2,4-triazole rings are inclined to each other at an interplanar angle of 44.13 (13)°. The phenyl ring makes an interplanar angle of 67.40 (13)° with the attached 1,2,3-oxadiazole ring. In the crystal structure, adjacent molecules are interconnected into two-molecule-thick arrays parallel to (100) via C—H⋯O and C—H⋯N hydrogen bonds. A short S⋯O contact [2.9512 (18) Å] is observed
4-[3-(Phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-3-(p-tolyl)sydnone
In the title triazolothiadiazine derivative, C20H16N6O3S {systematic name: 3-(4-methylphenyl)-4-[3-(phenoxymethyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intramolecular C—H⋯O hydrogen bond. The 3,6-dihydro-1,3,4-thiadiazine ring adopts a twist-boat conformation. The dihedral angle between the 1,2,3-oxadiazole and 1,2,4-triazole rings is 46.45 (14)°. The 1,2,3-oxadiazole ring is inclined at dihedral angle of 59.49 (13)° with respect to the benzene ring attached to it. In the crystal structure, intermolecular C—H⋯O and C—H⋯N hydrogen bonds link neighbouring molecules into two-molecule-thick arrays parallel to the bc plane. A short S⋯O interaction [2.9565 (19) Å] also occurs
[3-(4-Chlorophenyl)-5-hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](3-pyridyl)methanone
In the title compound, C21H16ClN3O2, the dihedral angles formed by the pyrazole ring with the pyridyl, phenylene and phenyl rings are 6.80 (5), 9.23 (5) and 74.96 (5)°, respectively. The phenyl and phenylene rings are inclined at 80.14 (2)°. Intramolecular O—H⋯O and C—H⋯N hydrogen bonds generate S(6) ring motifs. The crystal packing is strengthened by short intermolecular O—H⋯N, C—H⋯O hydrogen bonds and π–π stacking interactions with centroid–centroid distances of 3.6247 (5)–3.7205 (5) Å, together with intermolecular short O⋯N contacts [2.7682 (11) Å]. Molecules are linked into infinite chains along [100]
3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone
In the title sydnone compound [systematic name: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C13H12N4O3, the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006 (1) and 0.019 (1) Å, respectively] and are inclined at interplanar angles of 37.84 (4) and 46.60 (4)°, respectively, with respect to the benzene ring. In the crystal, adjacent molecules are interconnected into a three-dimensional supramolecular network via intermolecular C—H⋯O hydrogen bonds. Weak intermolecular π–π aromatic stacking interactions [centroid–centroid distance = 3.5251 (5) Å] further stabilize the crystal packing
4-[(4-Chlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
In the the title compound, C27H23ClN4O2, the chlorophenyl ring forms dihedral angles of 77.70 (9) and 86.65 (9)°, respectively, with the pyrazol-3-one and pyrazole rings. The phenyl rings attached to the pyrazole rings are twisted away from them [dihedral angles 33.80 (9) and 40.34 (10)°]. An intramolecular O—H⋯O hydrogen bond generates an S(8) ring motif. The molecules are linked into chains running along the c axis by N—H⋯N hydrogen bonds, and the chains are cross-linked via C—H⋯O hydrogen bonds and C—H⋯π interactions involving the chlorophenyl ring
3-Benzamidomethyl-4-[(E)-2-chlorobenzylideneamino]-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C17H14ClN5OS, the dihedral angles formed by the two benzene rings with the triazole ring are 66.88 (3) and 19.16 (3)°, and the benzene rings are inclined to each other with a dihedral angle of 78.40 (3)°. Intermolecular N—H⋯O hydrogen bonds link the molecules into layers parallel to the (100) planes, and centrosymmetric π–π stacking interactions [centroid–centroid distance = 3.7717 (5) Å] are formed between benzene rings in neighbouring layers
(4-Methylphenyl)[3-(5-nitro-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methanone
In the title pyrazole compound, C21H15N3O4, an intramolecular C—H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)°. In the crystal structure, intermolecular C—H⋯O interactions form bifurcated hydrogen bonds, generating R
1
2(7) ring motifs. These hydrogen bonds link the molecules into infinite chains along the a axis. The crystal structure is further stabilized by weak intermolecular π–π interactions [centroid–centroid distance = 3.4118 (10) Å]
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