The asymmetric unit of the title compound, C5H6N3O2
−·2C5H5N3O2·H2O, comprises two symmetry-independent zwitterions, one cation, one perchlorate anion and one water molecule. In the crystal, the three different types of organic entities are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming undulating sheets parallel to (1-10). These sheets are in turn connected by O—H⋯N and O—H⋯O hydrogen bonds involving perchlorate anions and water molecules, forming a three-dimensional network. Intramolecular N—H⋯O and weak intermolecular C—H⋯O hydrogen bonds are also present.
In the title hydrated salt, C16H12Cl2N3
+·Cl−·H2O, there is a small twist in the cation as seen in the torsion angle linking the benzene ring to the rest of the molecule [171.96 (17)°]. In the crystal, the quinolinium H atom forms a hydrogen bond to the lattice water molecule, which also forms hydrogen bonds to two Cl− anions. Each Cl− ion also accepts a hydrogen bond from the hydrazine H atom. The three-dimensional architecture is also stabilized by π–π interactions between centrosymmetrically related quinoline residues [centroid–centroid distance = 3.5574 (11) Å].
The asymmetric unit of the title compound, (C4H5N2O)2[Cu2Cl6(C4H4N2O)2]·2H2O, consists of one cation, one half of a centrosymmetric dianion and one water molecule. The centrosymmetric dianion formed by dimerization in the crystal structure has neutral pyrimidin-2-one ligands coordinated to each copper(II) centre through Cu—N bonds. The Cu atoms each have a distorted trigonal bipyramidal geometry, with the N atom of the pyrimidin-2-one ligand in an axial position, and dimerize by sharing two equatorial Cl atoms. N—H⋯Cl, O—H⋯Cl and N—H⋯O hydrogen bonds connect the anions, cations and water molecules, forming a three-dimensional network.
The title compound, (C4H7N4O)2[Bi2Cl9(C4H7N4O)]·H2O, was prepared by the reaction of bismuth trichloride and 5-amino-1H-imidazole-4-carboxamide in a dilute HCl medium. The asymmetric unit contains two 5-amino-4-aminocarbonyl-1H-imidazol-3-ium cations, one edge-shared non-centrosymmetric bioctahedral [Bi2C19(C4H7N4O)]2− dianion and a water molecule. In the dianion, the planar 5-amino-4-aminocarbonyl-1H-imidazol-3-ium ligand occupies an equatorial site and is inclined at an angle of 75.7 (2)° to the Bi2(μ-C1)2 plane. The salt forms a three-dimensional network arising from hydrogen bonds between cations, anions and water molecules.
In the crystal structure of the title salt hydrate, C9H8NO+·HSO4
−·H2O, the quinoline N—H atoms are hydrogen bonded to the bisulfate anions. The bisulfate anions and water molecules are linked together by O—H⋯O hydrogen-bonding interactions. The cations and anions form separate layers alternating along the c axis, which are linked by N—H⋯O and O—H⋯O hydrogen bonds into a two-dimensional network parallel to (100). Further O—H⋯O contacts connect these layers, forming a three-dimensional network, in which two R
4(12) rings and C
2(13) infinite chains can be identified.
The title molecular salt, C13H11N2O+·Cl−·H2O, crystallizes as a monohydrate. In the cation, the phenol and benzimidazole rings are almost coplanar, making a dihedral angle of 3.18 (4)°. The chloride anion and benzimidazole cation are linked by two N+—H⋯Cl− hydrogen bonds, forming chains propagating along . These chains are linked through O—H⋯Cl hydrogen bonds involving the water molecule and the chloride anion, which form a diamond core, giving rise to the formation of two-dimensional networks lying parallel to (10-2). Two π–π interactions involving the imidazolium ring with the benzene and phenol rings [centroid–centroid distances = 3.859 (3) and 3.602 (3) Å, respectively], contribute to this second dimension. A strong O—H⋯O hydrogen bond involving the water molecule and the phenol substituent on the benzimidazole unit links the networks, forming a three-dimensional structure.
In the title molecular salt, C8H13N2O+·C7H3N2O7
−·H2O, the pyrimidinium cation is essentially planar, with a maximum deviation of 0.009 (1) Å. The cation undergoes an enol–keto tautomerism during the crystallization. In the crystal, the ion pairs and water molecules are connected via O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming two-dimensional networks parallel to the bc plane. There is an intramolecular O—H⋯O hydrogen bond in the 3,5-dinitrosalicylate anion, which generates an S(6) ring motif.
In the title compound, alternatively called xylazine hydrochloride monohydrate, C12H17N2S+·Cl−·H2O, the six-membered thiazine ring is in a half-chair conformation. In the crystal structure, six component centrosymmetric clusters are formed via intermolecular O—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonds involving xylazine cations, chloride anions and water molecules.
The asymmetric unit of the title salt, 2C4H8N5
2−·5H2O, contains four 2,4,6-triaminopyrimidinium (TAPH+) cations, two sulfate anions and ten lattice water molecules. Each two of the four TAPH+ cations form dimers via N—H⋯N hydrogen bonds between the amino groups and the unprotonated pyrimidine N atoms [graph-set motif R
2(8)]. The (TAPH+)2 dimers, in turn, form slightly offset infinite π–π stacks parallel to , with centroid–centroid distances between pyrimidine rings of 3.5128 (15) and 3.6288 (16) Å. Other amino H atoms, as well as the pyrimidinium N—H groups, are hydrogen-bonded to sulfate and lattice water O atoms. The SO4
2− anions and water molecules are interconnected with each other via O—H⋯O hydrogen bonds. The combination of hydrogen-bonding interactions and π–π stacking leads to the formation of a three-dimensional network with alternating columns of TAPH+ cations and channels filled with sulfate anions and water molecules. One of the sulfate anions shows a minor disorder by a ca 37° rotation around one of the S—O bonds [occupancy ratio of the two sets of sites 0.927 (3):0.073 (3)]. One water molecule is disordered over two mutually exclusive positions with an occupancy ratio of 0.64 (7):0.36 (7).
In the crystal structure of the title compound, C4H7N4O+·Cl−·2H2O, adjacent cations are connected to one another through N—H⋯O hydrogen bonds, forming infinite chains along the b axis. These chains are further hydrogen bonded to the chloride anions and water molecules, resulting in a three-dimensional network. The pyrimidine rings of adjacent molecules are arranged in an antiparallel manner above each other with centroid–centroid distances of 3.435 (1) Å, indicative of π–π interactions.
In the title structure, C7H9N3O2·H2O, there are two formula units in the asymmetric unit. The molecule is a zwitterion, containing a quaternary N atom and a deprotonated carboxyl group, with C—O distances in the range 1.256 (2)–1.266 (3) Å. The two independent molecules form a hydrogen-bonded R
2(16) dimer about an approximate inversion center via N—H⋯O hydrogen bonds, with N⋯O distances of 2.766 (2) and 2.888 (2) Å. O—H⋯O hydrogen bonds involving the water molecules and additional N—H⋯O hydrogen bonds link these dimers, forming double chains.
The asymmetric unit of the title compound, 2C9H12N3
+·2Cl−·H2O, comprises two molecules, two chloride anions and one molecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C—N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetrahedron environment. The donors are NH2 groups, the NH groups of the imidazolinium rings and the water molecule. These hydrogen bonds and N—H⋯O(H2O) hydrogen bonds form a three-dimensional network.
In the title compound [systematic name: bis(4-methoxy-3,4-dihydroquinazolin-1-ium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate], 2C9H11N2O+·C6Cl2O4
2−, the chloranilate anion lies about an inversion center. The 4-methoxy-3,4-dihydroquinazolin-1-ium cations are linked on both sides of the anion via bifurcated N—H⋯(O,O) and weak C—H⋯O hydrogen bonds, giving a centrosymmetric 2:1 aggregate. The 2:1 aggregates are linked by another N—H⋯O hydrogen bond into a tape running along [1-10]. The tapes are further linked by a C—H⋯O hydrogen bond into a layer parallel to the ab plane.
The organic molecule in the title monohydrate, C6N6O5·H2O, presents an almost planar configuration, the greatest deviation from the least-squares plane through the atoms being 0.061 (1) Å for the O atom within the seven-membered ring. Each water H atom is bifurcated, one forming two O—H⋯N hydrogen bonds and the other forming O—H⋯N,O hydrogen bonds. The result of the hydrogen bonding is the formation of supramolecular layers with a zigzag topology that stack along .
In the title compound, C8H10N2O4·H2O, the imidazole N atom is protonated and one of the carboxylate groups is deprotoned, forming a zwitterion. An intramolecular O—H⋯O hydrogen bond occurs. The crystal structure is stabilized by intermolecular N—H⋯O and O—H⋯O hydrogen bonds. In addition, intermolecular N—H⋯O and O—H⋯O hydrogen bonds link the molecules into two-dimensional networks parallel to (10).
The two-dimensional crystal packing of the title compound, C3H5N4O2
−·H2O, results from the stacking of well separated layers (i.e. with nothing between the layers) parallel to the (-113) plane in which adjacent cations adopt a head-to-head arrangement such that two –COOH groups are linked via two water molecules (the water O atom behaves simultaneously as donor and acceptor of hydrogen bonds) and two –NH2 groups are linked through two nitrate anions. This arrangement leads to alternating hydrophilic and hydrophobic zones in which O—H⋯O and N—H⋯O hydrogen bonds, respectively, are observed.
The asymmetric unit of the title compound, C14H18N3O+·Cl−·H2O, comprises a substituted amido–naphthyridine cation, a chloride anion and a water molecule of crystallization. Intramolecular C—H⋯O hydrogen bonds generate six-membered rings, producing an S(6) ring motif. The amido group is twisted from the naphthyridine ring, making a dihedral angle of 17.65 (7)°. The crystal structure is stabilized by intermolecular N—H⋯O, N—H⋯Cl, O—H⋯Cl (× 2), and C—H⋯O (× 2) hydrogen bonds. These interactions linked neighbouring molecules into chains along the a and b axes of the crystal, thus forming molecular sheets parallel to the (001) plane.
In the title compound, 2C3H5N4O2
−·C3H4N4O2, three independent 5-amino-1H-1,2,4-triazol-3-carboxylic acid moieties are observed. Two are in the form of cations, while the third is in the zwitterionic form. The triazole rings in the two cations are almost coplanar, making an angle of 4.11 (7)°. Layers parallel to the (20-1) plane, resulting from hydrogen bonding of the organic molecules and the nitrate anions, are linked via H2PO4
− infinite zigzag chains running parallel to the c axis. The crystal studied was an inversion twin, with refined components of 0.33 (7) and 0.67 (7).
In the crystal of the title compound, C16H17N2
−·H2O, the tetramethyl-1,10-phenanthrolinium cations, nitrate anions and lattice water molecules are all located on a mirror plane with the methyl H atoms of the cation equally disordered over two sites about the mirror plane. The cation, anion and water molecule are linked by O—H⋯O and N—H⋯O hydrogen bonds into a sheet parallel to the bc plane. π–π stacking between phenanthroline ring systems is observed in the crystal structure, the centroid–centroid distance being 3.4745 (6) Å.
In the title compound, C5H9N2
2−·C2H2O4·H2O, the anions, cations and water moleculars are linked by N—H⋯O and O—H⋯O hydrogen bonds which define a tightly bound three-dimensional structure. The title compound is a layered structure as viewed along the a or c axis; one layer contains water and oxalic acid molecules, the other the imidazolium cation. The C atoms of the ethyl group of the 2-ethylimidazolium cation are disordered over two positions of equal occupancy.
In the title crystal structure, C13H9N4
−·H2O, cations, anions and water molecules are linked through intermolecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, forming layers parallel to (001). In addition, there are weak π–π stacking interactions between the layers, involving the cations and with centroid–centroid distances in the range 3.584 (2)–3.662 (2) Å, forming a three-dimensional network.
In the title compound, C17H24NO2
+·Br−·H2O, the pentyl group chain in the cation extends nearly perpendicular [N—C—C—C = −64.4 (3)°] to the mean plane of the indole ring with the carboxyl end group twisted such that the dihedral angle between the mean planes of the indole and carboxy groups measures 43.2 (4)°. Both ions in the salt form intermolecular hydrogen bonds (O—H⋯Br and O—H⋯O) with the water molecule. As a result of the Br⋯H—O—H⋯Br interactions, a zigzag chain is formed in the c-axis direction. The crystal packing is influenced by the collective action of the O—H⋯O and O—H⋯Br intermolecular interactions as well as π–π stacking intermolecular interactions between adjacent benzyl rings of the indole group [centroid–centroid distance = 3.721 (13) Å] and intermolecular C—H⋯π interactions between a methyl hydrogen and the benzyl ring of the indole group. The O—H⋯Br interactions form a distorted tetrahedral array about the central Br atom. A MOPAC AM1 calculation provides support to these observations.
The title compound, (C4H5N2O)5[Cd3Cl11], was obtained from the reaction of 2-hydroxypyrimidine hydrochloride and cadmium(II) chloride in concentrated HCl solution. The crystal structure consists of planar 2-oxo-1,2-dihydropyrimidin-3-ium cations with both N atoms protonated and the O atom unprotonated, and a complex trinuclear [Cd3Cl11]5− anion of approximately D
3h symmetry, which has a triangle of three octahedrally coordinated CdII centres bonded to 11 chloride ions. Three of the chloride ions bridge adjacent Cd atoms, two cap the faces of the Cd3 triangle and the remaining six are terminally bonded and act as hydrogen-bond acceptors. Various N—H⋯Cl hydrogen bonds connect the anions and cations and, in addition, intermolecular N—H⋯O hydrogen bonds contribute to the formation of a three-dimensional network.
In the crystal structure of the title compound, C7H11N2O2S+·Cl−·H2O, the cations, anions and water molecules are linked by intermolecular N—H⋯O, N—H⋯Cl, O—H⋯O and O—H⋯Cl hydrogen bonds, forming layers stacked along .
In the title compound, C8H13N2O2
+·Cl−·H2O, the methyl C atom of the ethyl group is slightly out of the imidazole plane, with an N—C(ring)—C—C torsion angle of −15.1 (2)°. In the crystal structure, there are strong intermolecular hydrogen-bonding interactions between the solvent water molecule, the free chloride anion and the organic cation, resulting in a two-dimensional supramolecular network in the ab plane.