organic compounds
Open access
In the title pymiridine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 66.69 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −19.57 (16)°. In the crystal, adjacent molecules form inversion dimers through pairs of strong N—HO hydrogen bonds, generating an R22(8) ring motif. The dimers are connected into chains extending along the c-axis direction through additional N—HO hydrogen bonds.
organic compounds
Open access
In the cation of the title salt, C11H17N2O+·C7H8ClN2O2−, the piperazine ring adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. Its mean plane makes a dihedral angle of 42.36 (8)° with the phenyl ring of its 2-methoxyphenyl substituent. The 2,4-dioxopyrimidin-1-ide anion is generated by deprotonation of the N atom at the 1-position of the pyrimidinedione ring. Intramolecular C—HO hydrogen bonds generate S(6) ring motifs in both the cation and the anion. In the crystal, N—HO, N—HN and C—HO hydrogen bonds are also observed, resulting in a two-dimensional network parallel to the ab plane. The crystal stability is further consolidated by weak C—Hπ interactions.
organic compounds
Open access
There are two crystallograpically independent molecules in the asymmetric unit of the title bischalcone derivative, C25H32N2O. Both molecules are twisted with a dihedral angle between the two substituted benzene rings of 11.19 (16)° in one molecule and 14.40 (15)° in the other. The central penta-1,4-dien-3-one fragments make dihedral angles of 8.49 (17) and 4.26 (17)° with the two adjacent benzene rings in one molecule, whereas the corresponding values are 8.42 (16) and 6.18 (16)° in the other. In the crystal, molecules are arranged into chains along the c-axis direction. Adjacent chains are inter-linked by weak intermolecular C—HO interactions. The crystal is further stabilized by C—Hπ interactions.
organic compounds
Open access
The title compound, C19H23N3S, is a functionalized triazoline-3-thione derivative. The benzyl ring is almost normal to the planar 1,2,4-triazole ring (r.m.s. deviation = 0.007 Å) with a dihedral angle of 86.90 (7)°. In the crystal, molecules are linked by pairs of N—HS hydrogen bonds, forming inversion dimers that enclose R22(8) loops. The crystal packing is further stabilized by weak C—Hπ interactions that link adjacent dimeric units into supramolecular chains extending along the a-axis direction.
organic compounds
Open access
In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of −59.01 (17)°. An intramolecular C—HS hydrogen bond generates an S(5) ring motif. In the crystal, bifurcated acceptor N—HO and C—HO hydrogen bonds generate inversion-related dimers incorporating R21(9) and R22(8) loops. These dimers are connected into a chain extending along the a-axis direction by a second pair of inversion-related N—HO hydrogen bonds, forming another R22(8) loop. The crystal structure is further stabilized by weak intermolecular C—Hπ interactions, generating a three-dimensional network.
data reports
Open access
In the molecule of the title compound, C7H9ClN2O2, the conformation is determined by intramolecular C—HO and C—HCl hydrogen bonds, which generate S(6) and S(5) ring motifs. The isopropyl group is almost perpendicular to the pyrimidine ring with torsion angles of −70.8 (3) and 56.0 (3)°. In the crystal, two inversion-related molecules are linked via a pair of N—HO hydrogen bonds into R22(8) dimers; these dimers are connected into chains extending along the bc plane via an additional N—HO hydrogen bond and weaker C—HO hydrogen bonds. The crystal structure is further stabilized by a weak π–π interaction [3.6465 (10) Å] between adjacent pyrimidine-dione rings arranged in a head-to-tail fashion, producing a three-dimensional network.
data reports
Open access
In the title molecule, C18H19BrN2O, the benzene ring is inclined to the oxadiazole ring by 10.44 (8)°. In the crystal, C—Hπ interactions link the molecules in a head-to-tail fashion, forming chains extending along the c-axis direction. The chains are further connected by π–π stacking interactions, with centroid–centroid distances of 3.6385 (7) Å, forming layers parallel to the bc plane.