Download citation
Download citation

link to html
In the title compound, [ZnCl2(C6H8N2O2S)2], the ZnII ion lies on a twofold rotation axis and has a slightly distorted tetra­hedral coordination geometry, involving two Cl atoms and two N atoms from the amino groups attached directly to the benzene rings [Zn—Cl = 2.2288 (16) Å and Zn—N = 2.060 (5) Å]. The dihedral angle between the benzene rings is 67.1 (3)°. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001). The amine H atoms act as donor atoms and participate in inter­molecular N—H...O and N—H...Cl hydrogen bonds, forming a three-dimensional network.

Download citation
Download citation

link to html
In the title mol­ecule, C17H13NO2, the phenyl ring is inclined to the quinoline ring system by 43.53 (4)°. In the crystal, mol­ecules are linked via C—H...O hydrogen bonds, forming double-stranded chains propagating along [011]. These chains are linked via π–π inter­actions involving inversion-related quinoline rings; the shortest centroid–centroid distance is 3.6596 (17) Å.

Download citation
Download citation

link to html
The title mol­ecule, C15H12ClNO, features a di­hydro­quinolin-4(1H)-one moiety attached to a chloro­benzene ring. The heterocyclic ring has a half-chair conformation with the methine C atom lying 0.574 (3) Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0240 Å). The dihedral angles between the terminal benzene rings is 77.53 (9)°, indicating a significant twist in the mol­ecule. In the crystal, supra­molecular zigzag chains along the c-axis direction are sustained by N—H...O hydrogen bonds. These are connected into double chains by C—H...π inter­actions.

Download citation
Download citation

link to html
In the title mol­ecule, C16H15NO, the tetra­hydro­pyridine ring is in a sofa conformation with the methine C atom forming the flap. The dihedral angle between the benzene rings is 80.85 (8)°. In the crystal, mol­ecules are arranged in alternating double layers parallel to (100) and are connected along [001] by N—H...O hydrogen bonds. In addition, weak C—H...π inter­actions are observed.

Download citation
Download citation

link to html
In the title mol­ecule, C14H17NO, the 5,5-di­methyl­cyclo­hex-2-enone moiety is attached to an aniline group, the dihedral angle subtended [54.43 (3)°] indicating a significant twist. The hexaneone ring has a half-chair conformation with the C atom bearing two methyl groups lying 0.6384 (8) Å above the plane of the five remaining atoms (r.m.s. deviation = 0.0107 Å). The crystal packing can be described as alternating layers parallel to (-101), which are consolidated by N—H...O hydrogen bonds and C—H...π inter­actions.

Download citation
Download citation

link to html
In the title coordination polymer, [MnCl2(C7H5NS)2]n, the MnII ion is located on the inter­section of a twofold rotation axis and a mirror plane and adopts an octa­hedral coordination geometry defined by two mutually trans N atoms from benzo­thia­zole ligands which occupy the axial positions, and four Cl atoms which form the equatorial sites. The MnII ions are connected by two bridging Cl atoms, forming chains parallel to the c axis. The crystal packing can be descibed as alternating layers parallel to (001) featuring π–π stacking inter­actions with a centroid–centroid distance of 3.6029 (15) Å.

Download citation
Download citation

link to html
The title compound, C21H18N2O4, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules the oxazine ring has an envelope conformation with the hydroxyl-substituted C atom as the flap. The nitro­benzyl ring and the phenyl ring are almost normal to the mean plane of the benzooxazine ring system with dihdral angles of 85.72 (15) and 82.69 (15)°, respectively, in mol­ecule A, and 85.79 (15) and 87.72 (15)°, respectively, in mol­ecule B. The main difference in the conformation of the two mol­ecules concerns the dihedral angle between the nitro­benzyl ring and the phenyl ring, viz. 79.67 (18) in mol­ecule A and 71.13 (18)° in mol­ecule B. In the crystal, the A and B mol­ecules are linked by an O—H...O hydrogen bond. These units are then linked via C—H...O hydrogen bonds, forming sheets lying parallel to (010). Further C—H...O hydrogen bonds link the sheets to form a three-dimensional network. There are also O—H...π and C—H...π inter­actions present, reinforcing the three-dimensional structure.

Download citation
Download citation

link to html
In the title compound, C13H12ClNO2, the dihedral angle between the planes of the quinoline ring system (r.m.s. deviation = 0.029 Å) and the ester group is 54.97 (6)°. The C—O—C—Cm (m = meth­yl) torsion angle is −140.62 (16)°. In the crystal, mol­ecules inter­act via aromatic π–π stacking [shortest centroid–centroid separation = 3.6774 (9) Å] generating (010) sheets.

Download citation
Download citation

link to html
In the title mol­ecule, C13H13N3O2, the planes of the benzene and imidazole rings form a dihedral angle of 7.72 (5)°. In the crystal, mol­ecules are linked by weak C—H...N and C—H...O hydrogen bonds, forming layers parallel to (100). A weak C—H...π inter­action connects these layers into a three-dimensional network. A π–π stacking inter­action, with a centroid–centroid distance of 3.5373 (9) Å, is also observed.

Download citation
Download citation

link to html
In the title compound, C14H14ClNO4, the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.0142 Å) and ester planes is 18.99 (3)°. The C—O—C—Cm (m = meth­yl) torsion angle is −172.08 (10)°, indicating a trans conformation. In the crystal, the mol­ecules are linked by C—H...O and C—H...N inter­actions, generating layers lying parallel to (101). Aromatic π-π stacking [centroid–centroid distances = 3.557 (2) and 3.703 (2)Å] links the layers into a three-dimensional network.

Download citation
Download citation

link to html
In the asymmetric unit of the title compound, C13H13N3O3, the 2-(2-methoxphen­yl)ethenyl unit is connected to the methyl-nitro­imidazole 1-methyl-4-nitro-1H-imidazole moiety. The mol­ecule is quasi-planar and the planes of the two rings form a dihedral angle of 0.92 (11)°. The crystal packing can be described as layers parallel to the (011) plane, stabilized by inter­molecular C—H...O hydrogen bonding, resulting in the formation of an infinite three-dimensional network linking these layers. Strong π–π stacking inter­actions are observed, viz. benzene–benzene, imidazole–imidazole and benzene–imidazole rings, with centroid–centroid distances of 3.528 (2), 3.457 (2) and 3.544 (2) Å, respectively. Intensity statistics indicated twinning by non-merohedry, with refined weighs of the twin components of 0.3687:0.6313.

Download citation
Download citation

link to html
In the title mol­ecule, C18H21Cl2N3, the tri­aza­cyclo­hexane ring adopts a chair conformation with both 4-chloro­phenyl substituents in axial positions and the propyl group in an equatorial site. The dihedral angle between the planes of the benzene rings is 49.5 (1)°. In the crystal, mol­ecules are arranged in a head-to-tail fashion, forming columns along [010], and pairs of weak C—H...π inter­actions form inversion dimers between columns.
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds