In the solid form of the title imidazolium-based ionic liquid salt, C(18)H(24)N(4) (2+)·2CF(3)SO(3) (-), the complete cation is generated by a crystallographic inversion centre. The five-membered imidazole ring is approximately perpendicular to the six-membered phenyl-ene ring [dihedral angle = 85.11 (11)°]. In the crystal, the components are linked by C-H⋯O interactions.
In the title hydrated salt, C(5)H(6)ClN(2) (+)·C(4)H(3)O(4) (-)·0.25H(2)O, the water O atom lies on a twofold axis with 0.25 occupancy. The 2-amino-5-chloro-pyridinium cation is almost planar, with a maximum deviation of 0.015 (3) Å. In the hydrogen malate anion, an intra-molecular O-H⋯O hydrogen bond generates an S(7) ring and results in a folded conformation. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming layers parallel to the ab plane which stack down the c axis.
The mol-ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl-pyrimidin-4-ol (the enol-form) undergoes an enol-to-keto tautomerism during the crystallization process. The pyrimidin-4(3H)-one group is essentially planar, with a maximum deviation of 0.081 (1) Å for the O atom. In the crystal structure, symmetry-related mol-ecules are linked into centrosymmetic dimers via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(8) rings. These dimers are stacked along the a axis.
The deprotonated Schiff base ligand in the title salt, [Ni(C(9)H(10)N(3)O(2)S)(C(18)H(15)P)]Cl, functions as an N,O,S-chelating anion to the phosphine-coordinated nickel(II) atom, which exists in a distorted square-planar geometry. The hy-droxy group forms an intra-molecular O-H⋯O hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.
The crystal structure of the title salt, [Sn(C(7)H(7))(3)(C(18)H(15)AsO)(2)][B(C(6)H(5))(4)], consists of discrete cations and anions; the tin atom of the cation is five-coordinated in a distorted trans-C(3)SnO(2) trigonal-bipyramidal geometry [summation of C-Sn-C angles 360.0 (3)° and O-Sn-O angle 173.1 (1)°]. The structure contains voids of 113 (19) Å(3), but no solvent mol-ecule could reasonably be located there.
The metal atom of the title compound, [Zn(C(13)H(8)N(3)O(2)S)(2)]·C(3)H(7)NO·H(2)O, is O,N,O'-chelated by two deprotonated Schiff bases and it exists in a distorted octa-hedral geometry. The N-H groups of the ligands, the carbonyl group of the DMF mol-ecule and uncoordinated water mol-ecule engage in N-H⋯O and O-H⋯O inter-actions, generating a hydrogen-bonded ribbon that propagates along [110]. One thienyl ring is disordered over two positions in a 1:1 ratio.
In the title compound, [Mn(C(13)H(8)N(3)O(3))(2)]·C(3)H(7)NO·H(2)O, the metal atom is O,N,O'-chelated by two deprotonated Schiff bases and exists in a distorted octa-hedral geometry. The N-H groups, the carbonyl group of the DMF mol-ecule and the uncoord-inated water mol-ecule engage in N-H⋯O and O-H⋯O hydrogen-bonding inter-actions, generating a hydrogen-bonded ribbon that propagates along [110].
The title compound, [Cd(2)(NCS)(4)(C(8)H(8)N(2))(4)], is a centrosymmetric dinuclear cadmium(II) complex in which each two metal ions are linked by a pair of thio-cyanate N:S-bridges. Two 2-methyl-benzimidazole N-atom donors and one terminal thio-cyanate N atom complete a highly distorted square-pyramidal geometry around the Cd atom. In the crystal structure, two N-H⋯S hydrogen-bonding inter-actions occur, resulting in a three-dimensional polymeric structure. The apical 2-methyl-benzimidazole ring and its symmetry-related counterpart are arranged in an anti-parallel manner with a centroid-centroid separation of 3.6050 (14) Å, indicative of a π-π inter-action.
In the title compound, [CdCl(2)(C(13)H(19)N(3)O)], the Cd(II) ion is five-coordinate, with the N,N',N''-tridentate Schiff base ligand 2-morpholino-N-[1-(2-pyrid-yl)ethyl-idene]ethanamine and two Cl atoms in a distorted square-pyramidal geometry. In the crystal structure, C-H⋯Cl hydrogen-bonding inter-actions connect the mol-ecules into a three-dimensional network.
In the crystal structure of the zinc(II) complex of bicine, [Zn(C(6)H(12)NO(4))(2)], the deprotonated amino acid O,N,O'-chelates to the metal atom through a carboxyl-ate O atom, a hy-droxy O atom and the N atom, the three atoms occupying fac positions of the distorted octa-hedron surrounding the metal atom. The metal atom lies on a center of inversion. The uncoordinated carboxyl-ate O atom is hydrogen bonded to the hy-droxy groups of adjacent mol-ecules, these two hydrogen bonds leading to the formation of a three-dimensional network.
The title salt, C(10)H(7)N(2) (+)·HSO(4) (-), is formed by the transfer of a proton from H(2)SO(4) to the N atom of 2-cyano-quinoline during crystallization. The quinoline ring system is approximately planar with a maximum deviation of 0.013 (3) Å. In the crystal, the cations are linked to the anions via inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a layered network.
A proton is transferred from the nitric acid to the N atom of 2-cyano-quinoline during crystallization, resulting in the formation of the title salt, C(10)H(7)N(2) (+)·NO(3) (-). The quinolinium ring system is approximately planar, with a maximum deviation of 0.013 (3) Å. In the crystal, a very asymmetric bifurcated N-H⋯(O,O) hydrogen bond to two O atoms of an adjacent nitrate anion occurs, generating an R(2) (1)(4) ring motif. C-H⋯O hydrogen bonds link the ions into sheets stacking along the a axis.
In the title salt, C(5)H(8)N(3) (+)·C(7)H(3)N(2)O(7) (-), the pyridine N atom of the 3,4-diamino-pyridine mol-ecule is protonated. The 3,5-dinitro-salicylate anion shows whole-mol-ecule disorder over two orientations with a refined occupancy ratio of 0.875 (4): 0.125 (4). In the crystal, the cations and anions are connected by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.
In the title compound, C(14)H(16)N(2)O(3)S, the phenyl ring and the ethyl 2-(3-formyl-thio-ureido)acetate fragment adopt an E configuration with respect to the C=C bond. An intra-molecular N-H⋯O hydrogen bond generating an S(6) ring motif is observed. In the crystal, mol-ecules are linked by N-H⋯S, C-H⋯S and C-H⋯O hydrogen bonds, forming sheets lying parallel to the ab plane.
IN THE TITLE COMPOUND [SYSTEMATIC NAME: 1-(3-phenyl-prop-2-eno-yl)thio-urea], C(10)H(10)N(2)OS, the acetyl-thio-urea fragment and the phenyl ring adopt an E configuration. The roughly planar but-2-enoyl-thio-urea fragment [maximum deviation = 0.053 (3) Å] forms a dihedral of 10.54 (11)° with the phenyl ring. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked into sheets parallel to (100) by N-H⋯S hydrogen bonds.
The title compound, systematic name 9-isopropyl-idene-2,6-dimethyl-11-oxatricyclo-[6.2.1.0(1,5)]undec-6-en-8-ol, C(15)H(22)O(2), which crystallizes with two mol-ecules of similar conformation in the asymmetric unit, features three fused rings, two of which are five-membered and the third six-membered. Of the two five-membered rings, the one with an O atom has a distinct envelope shape (with the O atom representing the flap). The six-membered ring is also envelope-shaped as it shares a common O atom with the five-membered ring. In the crystal, the two independent mol-ecules are linked by a pair of O-H⋯O hydrogen bonds, generating a dimer.
In the title compound, 2C(6)H(9)N(2) (+)·C(5)H(2)N(2)O(4) (2-)·3H(2)O, the 1H-pyrazole-3,5-dicarboxyl-ate anion is close to planar [maximum deviation = 0.208 (1) Å]. The two distinct 2-amino-5-methyl-pyridinium cations are also almost planar, with maximum deviations of 0.018 (2) and 0.014 (2) Å. In the crystal, pairs of inter-molecular N-H⋯O and O-H⋯O hydrogen bonds connect neighbouring mol-ecules into dimers, generating R(2) (2)(8) and R(2) (4)(8) ring motifs, respectively. Further inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.
In the title compound, C(13)H(16)N(2)OS, the piperidine ring exhibit a classical chair conformation. In the crystal, the mol-ecules are linked by N-H⋯O hydrogen bonds, forming zigzag chains running parallel to the c axis.
In the title salt, C(9)H(8)NO(+)·NO(3) (-), the quinoline ring system is essentially planar with a maximum deviation of 0.043 (1) Å. In the crystal, an R(2) (2)(7) ring motif is formed by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds between the cation and the anion. In addition, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the two ions, generating an R(2) (2)(8) ring motif. These sets of ring motifs are further linked into a ribbon along the a axis via inter-molecular C-H⋯O hydrogen bonds.
In the crystal structure of the title compound, C(8)H(9)N(2) (+)·SCN(-), the nearly planar 2-methyl-benzimidazolium cation [r.m.s. deviation = 0.0123 (4) Å] is perpendicular to a mirror plane and the methyl H atoms are disordered about the mirror plane with equal occupancies. The thio-cyanate anion also lies on a mirror plane. N-H⋯N hydrogen bonds link the components into an infinite chain along the b axis.