metal-organic compounds
Open access
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—HO and N—HCl hydrogen bonds, forming a three-dimensional network.
organic compounds
Open access
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—HO 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.
organic compounds
Open access
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—HO hydrogen bonds. These are connected into double chains by C—Hπ interactions.
organic compounds
Open access
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—HO hydrogen bonds. In addition, weak C—Hπ interactions are observed.
organic compounds
Open access
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—HO hydrogen bonds and C—Hπ interactions.
metal-organic compounds
Open access
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.
Keywords: crystal structure.
organic compounds
Open access
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—HO hydrogen bond. These units are then linked via C—HO hydrogen bonds, forming sheets lying parallel to (010). Further C—HO hydrogen bonds link the sheets to form a three-dimensional network. There are also O—Hπ and C—Hπ interactions present, reinforcing the three-dimensional structure.
Keywords: crystal structure.
data reports
Open access
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.
data reports
Open access
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—HN and C—HO hydrogen bonds, forming layers parallel to (100). A weak C—Hπ 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.
data reports
Open access
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—HO and C—HN 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.
data reports
Open access
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—HO 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.
data reports
Open access
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—Hπ interactions form inversion dimers between columns.