63 research outputs found
1-Methyl-3-(4-chlorobenzoyl)imidazo[1,2-a]pyridin-1-ium-2-olate
In the molecule of the title compound, C15H11ClN2O2, the nine-membered heterobicycle is approximately planar [largest deviation from least-squares plane = 0.012 (2) Å] and forms a dihedral angle of 51.14 (8)° with the plane of the 4-chlorophenyl group. There is a non-classical intramolecular hydrogen bond between the pyridine α-H atom and the O atom of the benzoyl group. The crystal structure is stabilized by weak C—H⋯O and C—H⋯Cl interactions involving the ‘olate’ O atom and the Cl atom attached to the benzoyl group as acceptors
4-Benzyl-3-[(1-oxidoethylidene)amino]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-iminium
The title compound, C17H17N5O, exists in the zwitterionic form with the amide group deprotonated. The mean planes of the 1,2,4-triazole and N-phenyl rings form a dihedral angle of 39.14 (8)°. The N atom of the amino group adopts a trigonal configuration. Intermoleculat C—H⋯O and C—H⋯N hydrogen bonds occur. In the crystal, molecules are linked into a two-dimensional network parallel to (10) by N—H⋯O and N—H⋯N hydrogen bonds. C—H⋯N contacts are also observed
4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate
In the cation of the title compound, C7H8N5
+·Cl−·H2O, the mean planes of the pyridine and 1,2,4-triazole rings form a dihedral angle of 2.3 (1)°. The N atom of the amino group adopts a trigonal–pyramidal configuration. The N atom of the pyridine ring is protonated, forming a chloride salt. In the crystal, intermolecular N—H⋯O, N—H⋯N, N—H⋯Cl and O—H⋯Cl hydrogen bonds link the cations, anions and water molecules into layers parallel to the (1, 0, ) plane
2-[2-(1H-Imidazol-1-yl)-2-adamantyl]phenol
In the title molecule, C19H22N2O, the imidazole and benzene rings form a dihedral angle of 84.53 (5)°. In the crystal, classical intermolecular O—H⋯N hydrogen bonds pair the molecules into centrosymmetric dimers, and C—H⋯π interactions further link these dimers into columns propagated in [100]
2-(4-Methoxyphenyl)-4H-1,3,2-benzoxathiaphosphinine 2-sulfide
The asymmetric unit of the title compound, C14H13O2PS2, contains two crystallographically independent molecules, which differ in the conformation of the 1,3,2-benzoxathiaphosphinine moieties (screw boat in the first molecule and envelope in the second molecule). In the crystal, neither classical nor non-classical hydrogen bonds are found. Weak interactions (about 2.9–3.0 Å) between the lone pair of the terminal S atoms with H atoms occur. This compound was further characterized by 1H NMR and IR spectroscopy
Tris(ethane-1,2-diamine)copper(II) bis(trifluoroacetate)
In the title complex, [Cu(H2NCH2CH2NH2)3](CF3COO)2, the environment of the Cu atom is distorted octahedral, formed by six N atoms from three chelating ethane-1,2-diamine ligands. The Cu—N distances range from 2.050 (2) to 2.300 (2) Å. This complex cation and the two trifluoroacetate anions are connected by weak N—H⋯O and N—H⋯F hydrogen bonds, forming a three-dimensional framework. In both anions, the F atoms are disordered over two positions; in one the site-occupancy factors are 0.55 and 0.45, in the other the values are 0.69 and 0.31
4-Allyl-3-(2-methyl-4-quinolyl)-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C15H14N4S, the quinoline and triazole rings form a dihedral angle of 41.48 (7)°. In the crystal, adjacent molecules are linked by N—H⋯N hydrogen bonds, forming chains along [100]
Methyl 4-methyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline-6-carboxylate
In the title molecule, C14H15NO3, the six-membered heterocyclic ring exhibits an envelope conformation. In the crystal, C—H⋯π interactions link the molecules into centrosymmetric dimers, and weak intermolecular C—H⋯O hydrogen bonds link these dimers into columns propagated along [100]
(2R)-Ethyl 2-(5-bromo-2,3-dioxoindolin-1-yl)propanoate
The title compound, C13H12BrNO4, was obtained from an optically active aniline derivative. The structure was characterized by 1H NMR, 13C NMR, MS and X-ray diffraction techniques. 86% of the atoms of the two independent molecules in the asymmetric unit show non-crystallographic inversion symmetry
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