27 research outputs found
Bis(2,1,3-benzoselenadiazole-κN)dibromidocopper(II)
In the title complex, [CuBr2(C6H4N2Se)2], the CuII ion is tetracoordinated by two bromide anions and two N atoms in a distorted square-planar geometry. The two essentially planar 2,1,3-benzoselenadiazole ligands [maximum deviations = 0.012 (2) and 0.030 (2) Å] are approximately coplanar [dihedral angle = 6.14 (6)°]. In the crystal, short intermolecular Se⋯Br, Se⋯N and N⋯N interactions are observed. These short interactions and intermolecular C—H⋯Br hydrogen bonds link the complex molecules into two-dimensional arrays parallel to the ac plane
(Z)-1,2-Dichloro-1,2-bis(3-chloroquinoxalin-2-yl)ethene
The title compound, C18H8Cl4N4, exists in a cis configuration with respect to the bridging C=C bond. The two essentially planar quinoxaline ring systems [maximum deviations = 0.012 (1) and 0.022 (1) Å] are inclined at an angle of 59.84 (3). In the crystal, adjacent molecules are linked into chains propagating along [001] via intermolecular C—H⋯N hydrogen bonds. Weak intermolecular π–π [centroid–centroid distance = 3.6029 (7)°] and C—H⋯π interactions are also observed
Adeninium perchlorate
In the title salt (systematic name: 6-amino-9H-purin-1-ium perchlorate), C5H6N5
+·ClO4
−, the adeninium cation is essentially planar, with a maximum deviation of 0.038 (1) Å. The whole of the perchlorate anion is disordered over two sets of sites with an occupancy ratio of 0.589 (13):0.411 (13). In the crystal, the adeninium cations are linked by pairs of N—H⋯N hydrogen bond into inversion dimers. The dimers and the anions are further interconnected into a three-dimensional supramolecular structure via intermolecular N—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds
1,2-Di-2-quinolylethene
The title compound, C20H14N2, comprises two crystallographically independent centrosymmetric molecules (A and B) with different conformations due to the disorder of molecule B. The whole of molecule B is disordered over two sets of positions, corresponding to a 180° rotation of the molecule, with a site-occupancy ratio of 0.780 (6):0.220 (6). The minor component of the disordered part in B has the same configuration as molecule A, but the major component is different. The dihedral angle between the planes of molecule A and molecule B (major component) is 63.22 (3)°. The crystal structure is stabilized by intermolecular C—H⋯π interactions
5-Bromo-5-bromomethyl-2-phenoxy-1,3,2-dioxaphosphorinan-2-one
In the title 1,3,2-dioxaphosphorinane derivative, C10H11Br2O4P, the 1,3,2-dioxaphosphorinane ring adopts a chair conformation, having the P=O bond equatorially oriented and the phenoxy group axially oriented. The bromo substituent is in an axial position opposite to the phenoxy group and the bromomethyl group is in an equatorial position opposite to the P=O bond. In the crystal packing, molecules are linked through weak C—H⋯O and C—H⋯Br interactions to form chains along the b axis. The chains are arranged into sheets parallel to the ab plane. In adjacent sheets, molecules are arranged in an antiparallel fashion. Intermolecular C—H⋯π interactions are also observed
2-Iodo-N-(6-methyl-2-pyridyl)benzamide
The asymmetric unit of the title compound, C13H11IN2O, comprises two crystallographically independent molecules. The dihedral angles between the ring planes are 53.56 (9) and 72.14 (19)° in the two molecules. Pairs of intermolecular N—H⋯N hydrogen bonds and I⋯O interactions link neighbouring molecules into two different pairs of dimers, those involving N—H⋯N interactions having R
2
2(8) ring motifs. Short intermolecular I⋯O [3.1458 (15) Å] and I⋯N [3.4834 (16) Å] contacts are present. The crystal structure is further stabilized by intermolecular C—H⋯π interactions [3.565 (2) and 3.629 (2) Å]
3,5-Dichloro-6-methylpyridin-2-amine
In the title compound, C6H6Cl2N2, intramolecular N–H⋯Cl and C—H⋯Cl contacts generate five-membered rings, producing S(5) ring motifs. Pairs of intermolecular N—H⋯N hydrogen bonds link neighbouring molecules into dimers with R
2
2(8) ring motifs. In the crystal structure, these dimers are connected by N—H⋯Cl interactions and are packed into columns
2-(1,3-Dithian-2-yl)-1,3-dithiane-2-carbaldehyde
The asymmetric unit of the title compound, C9H14OS4, comprises two crystallographically independent molecules with similar conformations. In each molecule, an intramolecular C—H⋯O hydrogen bond generates a six-membered ring, producing an S(6) ring motif. All of the six-membered dithiacyclohexane rings adopt chair conformations. The crystal structure is stabilized by four intermolecular C—H⋯O and one C—H⋯S interaction
2-(4-Nitrophenyl)-1,3-dithiane
The nitro group in the title compound, C10H11NO2S2, is almost coplanar with the benzene ring, making a dihedral angle of 3.42 (8)°. The 1,3-dithiane ring adopts a chair conformation. The crystal structure is stabilized by intermolecular C—H⋯O and C—H⋯π [C⋯Cg = 3.4972 (10) Å] interactions
1,10-Phenanthroline–dithiooxamide (2/1)
The asymmetric unit of the title compound, C12H8N2·0.5C2H4N2S2, contains one 1,10-phenanthroline molecule and a half-molecule of dithiooxamide, which lies across a crystallographic inversion center. The 1,10-phenanthroline unit is not strictly planar, with dihedral angles between the central benzene ring and the pyridine rings of 1.42 (10) and 1.40 (10)°. In the crystal structure, two 1,10-phenanthroline molecules are linked together by one dithiooxamide via intermolecular N—H⋯N hydrogen bonds