90 research outputs found
N—H⋯N hydrogen bonding in 4,6-diphenyl-2-pyrimidinylamine isolated from the plant Justicia secunda (Acanthaceae)
The title compound, C₁₆H₁₃N₃, isolated from Justicia secunda (Acanthaceae), comprises two molecules (which differ slightly in conformation) in the asymmetric unit of space group P\overline 1. Intermolecular Namino-H...Npyrm interactions (Npyrm is a pyrimidine ring N atom) involve only one of the two donor amino H atoms and pyrimidine N atoms per molecule, forming dimeric units via R²₂(8) rings, with N...N distances of 3.058 (2) and 3.106 (3) Å, and N-H...N angles of 172.7 (18) and 175.8 (17)°. The dimers are linked by C-H...π(arene) contacts, with an H...centroid distance of 2.77 Å and a C-H...centroid angle of 141°
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]
Methyl pyrido[2,3-b]pyrazine-3-carboxylate
The asymmetric unit of the title compound, C9H7N3O2, is composed of two independent molecules. The crystal structure is stabilized by C—H⋯O and C—H⋯N hydrogen bonds, forming a three-dimensional network. The crystal structure also features pyrazine–pyrazine π–π interactions [centroid–centroid distance = 3.6994 (5) Å] and also pyridine–pyrazine π–π interactions [centroid–centroid distance = 3.6374 (5) Å]
N-[6-(Dibromomethyl)-2-pyridyl]-2,2-dimethylpropionamide
In the molecular structure of the title compound, C11H14Br2N2O, the dimethylpropionamide substituent is twisted slightly with respect to the pyridine ring, the interplanar angle being 12.3 (2)°. The dibromomethyl group is orientated in such a way that the two Br atoms are tilted away from the pyridine ring. In the crystal structure, molecules are associated into supramolecular chains by weak C—H⋯O interactions. The crystal is further stabilized by weak N—H⋯Br and C—H⋯N interactions
Ethyl 7-pivaloylamino-1,8-naphthyridine-2-carboxylate sesquihydrate
In the title hydrate, C16H19N3O3·1.5H2O, both water molecules are disordered: one over two adjacent sites in a 0.498 (5):0.502 (5) ratio and one lying near a crystallographic twofold axis. The dihedral angle between the pyridine rings of the organic moleucle is 1.47 (6)°. In the crystal, the components are linked by N—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds, forming sheets lying parallel to the ac plane
N-(6-Bromomethyl-2-pyridyl)acetamide
The title acetamide compound, C8H9BrN2O, crystallizes with three crystallographically independent molecules (A, B and C) in the asymmetric unit. In molecule A, the mean plane through the acetamide unit is inclined at a dihedral angle of 4.40 (11)° with respect to the pyridine ring [10.31 (12) and 2.27 (11)°, respectively, for molecules B and C]. In the crystal structure, molecules are interconnected into sheets parallel to the ac plane by N—H⋯O, C—H⋯Br, C—H⋯O and C—H⋯N hydrogen bonds. The structure is further stabilized by weak intermolecular C—H⋯π interactions
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
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
N-Butyl-4,6-diphenylpyrimidin-2-amine
In the title compound, C20H21N3, the pyrimidine ring is inclined at dihedral angles of 51.57 (4) and 2.49 (4)° to the two phenyl rings. The dihedral angle between the two terminal phenyl rings is 50.44 (4)°. In the crystal, adjacent molecules are linked via a pair of N—H⋯N hydrogen bonds, forming an inversion dimer with an R
2
2(8) ring motif. Furthermore, the crystal structure is stabilized by a weak π–π interaction, with a centroid–centroid distance of 3.6065 (5) Å
(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
- …