Download citation
Download citation

link to html
In the title compound, C26H37N5OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the mol­ecule. An intra­molecular C—H...O hydrogen bond generates an S(6) ring motif. The crystal structure features C—H...π inter­actions, producing a two-dimensional supramolecular architecture.

Download citation
Download citation

link to html
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—H...O hydrogen bonds, generating an R22(8) ring motif. The dimers are connected into chains extending along the c-axis direction through additional N—H...O hydrogen bonds.

Download citation
Download citation

link to html
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—H...O hydrogen bonds generate S(6) ring motifs in both the cation and the anion. In the crystal, N—H...O, N—H...N and C—H...O 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—H...π inter­actions.

Download citation
Download citation

link to html
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—H...S hydrogen bonds, forming inversion dimers that enclose R22(8) loops. The crystal packing is further stabilized by weak C—H...π inter­actions that link adjacent dimeric units into supra­molecular chains extending along the a-axis direction.

Download citation
Download citation

link to html
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—H...S hydrogen bond generates an S(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O 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—H...O hydrogen bonds, forming another R22(8) loop. The crystal structure is further stabilized by weak inter­molecular C—H...π inter­actions, generating a three-dimensional network.

Download citation
Download citation

link to html
In the mol­ecule of the title compound, C7H9ClN2O2, the conformation is determined by intra­molecular C—H...O and C—H...Cl 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—H...O hydrogen bonds into R22(8) dimers; these dimers are connected into chains extending along the bc plane via an additional N—H...O hydrogen bond and weaker C—H...O 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.

Download citation
Download citation

link to html
In the title mol­ecule, C18H19BrN2O, the benzene ring is inclined to the oxa­diazole ring by 10.44 (8)°. In the crystal, C—H...π 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.
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds