organic compounds
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With respect to the triazole ring in the title compound, C19H16FN3O, the p-tolyl ring is inclined [dihedral angle = 51.79 (11)°], whereas the chalcone residue is almost coplanar [O—C—C—N and C—C—C—C torsion angles = −178.71 (19) and 178.42 (18)°, respectively]. The conformation about the C=C bond [1.328 (3) Å] is E, and the triazole methyl group and the carbonyl O atom are syn. In the crystal, centrosymmetrically related molecules are connected by π–π interactions between the triazole and p-tolyl rings [centroid–centroid distance = 3.6599 (12) Å] and these are linked into a three-dimensional architecture by C—HN and C—Hπ interactions.
organic compounds
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Two independent molecules comprise the asymmetric unit of the title compound, C24H26N4O. The major difference between them is found in the relative orientation of the triazole-bound p-tolyl group which have the opposite sense of twist [N—N—C—C torsion angles = 55.8 (3) and −49.8 (3)°]. The chalcone residue is almost coplanar with the triazole ring [N—C—C—O and C—C—C—C torsion angles = −178.9 (2) and −178.5 (2)°, respectively; cf. 177.9 (3) and 168.5 (3)°, respectively, in the second molecule]. The conformation about each C=C double bond is E and in each case the triazole methyl group is syn to the carbonyl O atom. In the crystal, molecules aggregate into layers parallel to (-113). The first independent molecule self-associates into a layer via C—HO and C—Hπ interactions. By contrast, layers comprising the second independent molecule do not feature specific interactions between molecules. The global crystal packing comprises alternating layers.
organic compounds
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In the title compound, C13H19N3S, the methylamine substituent is coplanar with the thiadiazole ring to which it is attached [C—N—C—S torsion angle = 175.9 (2)°] and the amine H atom is syn to the thiadiazole S atom. Supramolecular chains along [101], sustained by N—HN hydrogen bonding, feature in the crystal packing.
organic compounds
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In the title compound, C17H18N4OS2, the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684 (2): 0.316 ratio. The 1,3,4-oxadiazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34 (19) and 4.8 (5)° for the major and minor components, respectively]. The relative disposition of the thione- and ring-S atoms is anti for the major orientation of the 2-thienyl residue. Overall, the shape of the molecule approximates the letter V. In the crystal, a three-dimensional architecture is consolidated by a combination of weak C—HS and C—Hπ contacts.
organic compounds
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In the title compound, C26H34F2N6S, the triazole ring is linked to a benzene ring via an imine bond [N=C = 1.255 (2) Å; conformation: E], with a dihedral angle of 25.21 (11)° between the rings. The 4-ethylpiperazinyl residue is folded away from the thione-S atom. In the crystal, helical supramolecular chains propagating along [010] and sustained by weak C—Sπ(triazole) interactions occur [Scentroid distance = 3.2872 (10) Å]. Links between these chains are of the type benzene-C—HN(imine) and π–π [between centrosymmetrically related benzene rings with an inter-centroid distance of 3.9241 (15) Å] and result in a three-dimensional architecture.
organic compounds
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In the title compound, C25H32F3N5S, two independent molecules comprise the asymmetric unit and are related across a pseudo-centre of inversion. The piperazine rings have chair conformations with each N-bound substituent occupying an equatorial position so that the dihedral angles between the planes of the triazole and benzene ring are 78.20 (19) and 79.10 (19)° for the two independent molecules, indicating that the molecules have an L-shape. In the crystal, a three-dimensional architecture is stabilized by C—Hπ interactions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.27 (9).
organic compounds
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In the title compound, C13H11N3S2, the triazole and thiophene rings are coplanar [dihedral angle = 6.22 (13)°]. By contrast, the phenyl ring is perpendicular to the triazole ring [dihedral angle = 85.58 (13)°], so that the molecule has an L-shape. The thiophene S atom is syn with the ring imine N atom. In the crystal, eight-membered {HNCS}2 synthons form between centrosymmetrically related molecules, leading to dimeric aggregates that are connected into a supramolecular layer parallel to (101) by π–π interactions between centrosymmetrically related triazole rings [centroid–centroid distance = 3.6091 (15) Å] and C—Hπ interactions.
organic compounds
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In the title compound, C19H23N3OS, the oxadiazole and benzene rings are inclined at a dihedral angle of 50.30 (11)°, with the major twist between them occurring at the ring–methylene N—C bond [N—N—C—N torsion angle = −101.2 (2)°]. In the crystal, helical supramolecular chains along [010] are sustained by N—HS hydrogen bonds. These are linked into layers lying parallel to (-101) by methylene–phenyl C—Hπ interactions.
organic compounds
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In the title compound, C19H22FN3OS, the dihedral angle between the inclined oxadiazole and benzene rings is 52.7 (3)°. In the crystal, helical supramolecular chains along [100] are sustained by N—HS hydrogen bonds supported by methylene–benzene C—Hπ interactions. The crystal studied was an inversion twin with the fractional contribution of the minor component being 0.33 (14).
organic compounds
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In the title compound, C24H17BrFN3S, the pyrazole ring is almost planar (r.m.s. deviation = 0.043 Å), with all but the perpendicular fluorobenzene ring substituents [dihedral angle = 77.9 (3)°] being very approximately coplanar [dihedral angle with the 2-thienyl ring = 19.4 (3)° and with the bromobenzene ring = 20.3 (3)°; dihedral angle between the 2-thienyl and attached phenyl ring = 11.0 (4)°], so that the molecule has a T-shape. In the crystal, supramolecular chains along the b-axis direction are sustained by C—HS and C—Brπ interactions.
organic compounds
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In the title compound, C17H15N3O2, two independent molecules (A and B) comprise the asymmetric unit. The major conformational difference arises in the relative orientation of the pyrazole ring amine and dioxole substituents which are anti in A and syn in B. The five-membered dioxole ring in each molecule has an envelope conformation with the methylene C atom as the flap. The mean plane through the benzodioxole and benzene groups make dihedral angles of 31.67 (8) and 68.22 (9)°, respectively, with the pyrazole ring in A; the equivalent values for B are 47.18 (7) and 49.08 (9)°. In the crystal, supramolecular zigzag chains along the b-axis direction arise as a result of N—HN hydrogen bonding. These are consolidated into supramolecular double chains via C—HO and C—Hπ interactions.