400 research outputs found
(2Z,2′Z,4E,4′E)-4,4′-(Cyclohexane-1,2-diyldinitrilo)dipent-2-en-2-ol
A new tetradentate chiral Schiff base ligand, C16H26N2O2, has been synthesized by the reaction of acetylacetone with (1R,2R)-(−)-1,2-diaminocyclohexane. Both of the molecules in the asymmetric unit are of the same chirality (R configuration), since the absolute configuration was determined by the starting reagent (1R,2R)-(−)-1,2-diaminocyclohexane. The six-membered cyclohexane ring is in a chair conformation, and the substituents are equatorial in the most stable conformation (trans-cyclohexyl). At the ring substituents, large conjugated —C=N—CH=C—OH systems exist, resulting from the original ketone converted into the enol form. With H atoms excluded, the atoms of each substituent lie in the same plane. The two molecules in the asymmetric unit have almost the same structure, with slight differences in the torsion angles between the substituents and the cyclohexane ring; the corresponding N1—(C—C—C)cyclohexane torsion angles are −177.2 (3) and 179.3 (4)° in one molecule and −176.5 (3) and 178.4 (4)° in the other. Two intramolecular O—H⋯N hydrogen bonds exist in each molecule
Oxonium 2-carboxy-3-(2-furyl)acrylate
In the title compound, H3O+·C8H5O5
−, neighbouring cations and anions are linked by O—H⋯O hydrogen bonds, forming a one-dimensional chain framework along [001]. The crystal structure is further stabilized by π–π interactions, with centroid–centroid distances of 3.734 (3) Å
2-(Chloromethyl)benzimidazolium chloride
The structure of title compound, C8H8ClN2
+·Cl−, comprises discrete ions which are interconnected by N—H⋯Cl hydrogen bonds, leading to a neutral one-dimensional network in [001]. This hydrogen bonding appears to complement π–π stacking interactions [centroid–centroid distances 3.768 (2) and 3.551 (2) Å] and helps to stabilize the structure further
1-(3-Amino-1H-inden-2-yl)ethanone
The title compound, C11H11NO, was synthesized by the reaction of 2-(bromomethyl)benzonitrile and acetylacetone in the presence of KOH. In the crystal packing, molecules are linked by intermolecular N—H⋯O hydrogen bonds into chains running parallel to the b axis. Centrosymmetrically-related chains interact further through weak C—H⋯π interactions
2-Carboxy-1-phenylethanaminium nitrate
In the title salt, C9H12NO2
+·NO3
−, the cation and anion are linked by a bifurcated N—H⋯(O,O) hydrogen bond. The crystal packing is stabilized by intermolecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds, which connect neighbouring cations and anions, resulting in a two-dimensional network
5-p-Tolyl-1H-tetrazole
The title compound, C8H8N4, possesses crystallographic mirror symmetry, with four C atoms lying on the reflecting plane, which bisects the phenyl and tetrazole rings. It is composed of a planar r.m.s. deviation (0.0012 Å) tetrazole ring which is nearly coplanar with the benzene ring, the dihedral angle being 2.67 (9)°. In the crystal, symmetry-related molecules are linked by intermolecular N—H⋯N hydrogen bonds. The molecules stack along [100] with a π⋯π interaction involving the phenyl and tetrazole rings of adjacent molecules [centroid–centroid distance = 3.5639 (15) Å]. The H atom of the N—H group is disordered over two sites of equal occupancy. The methyl H atoms were modelled as disordered over two sets of sites of equal occupancy rotated by 60° with respect to each other
4-[(2H-Tetrazol-2-yl)methyl]benzonitrile
The title compound, C9H7N5, was synthesized by reaction of 4-(bromomethyl)benzonitrile and 2H-tetrazole in the presence of KOH. The relative orientation of the planar tetrazole ring and the methylbenzonitrile moiety is (−)-anticlinal. The crystal packing is dominated by van der Waals interactions
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