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C19H14F4O2, monoclinic, P21/c (no. 14), a = 11.8614(10) Å, b = 7.9148(6) Å, c = 16.7999(16) Å, β = 99.150(9)°, V = 1557.1(2) Å3, Z = 4, R gt(F) = 0.0446, wR ref(F 2) = 0.1150, T = 100 K.

C16H24N2O4, monoclinic, P21 (no. 4), a = 10.7872(2) Å, b = 5.02626(11) Å, c = 15.5479(3) Å, β = 94.2278(17)°, V = 840.70(3) Å3, Z = 2, Rgt(F) = 0.0337, wRref(F2) = 0.0871, T = 293(2) K.

C14H10Cl3NO, monoclinic, P21/n (no. 14), a = 13.7865(2) Å, b = 13.0725(2) Å, c = 15.9606(2) Å, β = 100.7371(14)°, V = 2826.11(7) Å3, Z = 8, Rgt(F) = 0.0662, wRref(F2) = 0.1980, T = 293(2) K.

The AgI atom in the title centrosymmetric dinuclear compound, [Ag2(C11H10N3O)2(C11H11N3O)2]·2H2O, shows a T-shaped coordination arising from bonding to the N atom of a neutral 2-[(pyrimidin-2-yl)aminomethyl]phenol ligand, the N atom of the 2-[(pyrimidin-2-yl)aminomethyl]phenolate anion [N—Ag—N = 171.8 (1)°] and the terminal O atom of the other anion [Ag—O = 2.606 (3) Å]. A pair of 2-[(pyrimidin-2-yl)aminomethyl]phenolate anions link the two AgI atoms to form the dinuclear compound. In the crystal, adjacent dinuclear molecules are linked to the lattice water molecules, generating an O—H...O- and N—H...O-connected three-dimensional network. In the crystal, the hydroxy H atom is disordered over two positions in a 1:1 ratio; one half-occupancy H atom is connected to one hydroxy group, whereas the other half-occupancy H atom is connected to another hydroxy group.

The title coordination polymer, {[Ag2(C6H5N2O)(C6H6N2O)2]NO3}n, features a deprotonated N-(pyridin-4-ylmethylidene)hydroxylaminate anion and two neutral N-(pyridin-4-ylmethylidene)hydroxylamine molecules in the asymmetric unit. The anion connects three AgI atoms through its O and two N-donor atoms. One neutral ligand functions in a monodentate mode; the other functions in a bridging mode, binding though its two N atoms. The coordination geometry of the two independent metal atoms is T-shaped; the manner of bridging gives rise to a layer motif parallel to (100). In the crystal, the nitrate ion is disordered over two positions in a 1:1 ratio, and is sandwiched between adjacent layers. O—H...O hydrogen bonding is present between nitrate ions and layers, and also between adjacent layers.

The AgI atom in the title compound, [Ag(C11H11N3O)3]NO3, shows a T-shaped coordination arising from bonding to the N atom of three N-heterocycles; the geometry is distorted towards square pyramidal owing to two weak Ag...Onitrate interactions [Ag...O = 2.691 (5) and 3.073 (5) Å]. The cation and anion are linked by O—H...N and N—H...O hydrogen bonds, generating a three-dimensional network.

In the centrosymmetric dinuclear title AgI compound, [Ag2(C6H6N2O)4](NO3)2, the aromatic amine-coordinated AgI atom is further bridged by two hydroxylamine molecules that use aromatic and oxime N atoms for bridging, and it exists in a distorted trigonal-planar geometry. In the crystal, the nitrate anions link to the dinuclear compound molecules via O—H...O hydrogen bonds, generating a chain running along the a-axis direction.

In the mononuclear title compound, [Ag(NO3)(C6H6N2O)2], the AgI atom is located on a twofold rotation axis and the nitrate-chelated AgI atom is further coordinated by two aromatic N atoms of hydroxylamine ligands in a distorted tetrahedral geometry. In the crystal, the nitrate ion has 2 symmetry with the N atom and one O atom located on the twofold rotation axis, and is linked to hydroxy groups of the hydroxylamine ligands by O—H...O hydrogen bonds, generating a chain running along the b axis.

The AgI atom in the polycationic salt, {[Ag(C11H11N3O)]NO3}n, shows a linear coordination [N—Ag—N = 175.0 (2)°]; the polymeric nature arises from bridging by the pyrazine portion of the ligand, resulting in chains extending parallel to [100]. The NO3− counter-ions surround the polymeric chain and interact only weakly with it [Ag...O = 2.701 (4) and 2.810 (5) Å]. Adjacent chains are linked into a three-dimensional network by O—H...O and N—H...O hydrogen bonds.

The planes of the aromatic rings in the cation of the title salt, C12H13N2O+·NO3−, are twisted along the –CH2—NH– single bond by 75.3 (1)°. In the crystal, the phenol O, amine N and pyridinium N atoms are hydrogen-bond donors to the O atoms of the nitrate counter-ions. These hydrogen bonds lead to the formation of a layer in the crystal.

The two aromatic rings of the title compound, C11H11N3O, are nearly perpendicular to one another, with a dihedral angle between their planes of 80.52 (18)°. In the crystal, the amino N atom is a hydrogen-bond donor to the pyrazine N1 atom of an inversion-related molecule and the hydroxy O atom is a hydrogen-bond donor to the pyrazine N4 atom of another molecule. The two hydrogen bonds lead to the formation of a helical chain that runs along the b axis.

The planes of the aromatic rings of the title compound, C12H12N2O, are twisted by 50.33 (15)°. The phenol O atom is a hydrogen-bond donor to the pyridine N atom, resulting in the formation of an eight-membered ring in the molecule. The amino N atom is a hydrogen-bond donor to the phenol O atom of an adjacent molecule; this hydrogen bond leads to the formation of a helical chain that runs along the a axis.

In the crystal structure of the title co-crystal, C11H12N3O+·ClO4−·C11H11N3O, the perchlorate ion is disordered about a twofold rotation axis with the Cl atom located on the twofold rotation axis; the 2-[(2-hydroxybenzyl)amino]pyrazinium cation and the neutral 2-[(pyrazin-2-ylamino)methyl]phenol molecule are disordered about the rotation axis in a 1:1 ratio. These two are connected by a pyrazine–pyrazine N1—H...N4 hydrogen bond. The cation, whose two aromatic rings are twisted along the –CH2—NH– bond by 76.8 (1)°, is a hydrogen-bond donor to the perchlorate ion through the N atom of this link.

Each of the ions in the title salt, [Ag(C6H6N2O)2]ClO4, is completed by the application of crystallographic twofold symmetry. The AgI atom is coordinated by two pyridine N atoms in an almost linear fashion [N—Ag—N = 170.0 (2)°], with the T-shaped coordination geometry being completed by a weakly associated perchlorate-O atom. Supramolecular zigzag chains along [100] mediated by O—H...N hydrogen bonds [as parts of R22(6) loops] feature in the crystal packing. The perchlorate O atoms are disordered over two sets of sites in a statistical ratio.

The 1,10-phenanthroline-chelated Zn atom in the polymeric title compound, {[Zn(C7H4O6S)(C12H8N2)(H2O)2]·1.5H2O}n, is connected to the sulfonate O atom of one 4-hydroxy-3-sulfonatobenzoate dianion and to the carboxylate O atom of another dianion. It is also coordinated by two water molecules in an overall octahedral environment. The dianion links adjacent metal atoms into a chain running along [110]. The chains are linked by O—H...O hydrogen bonds into a three-dimensional network.

The 1,10-phenanthroline-chelated CoII atom in the polymeric title compound, {[Co(C7H4O6S)(C12H8N2)(H2O)2]·1.5H2O}n, is connected to the sulfonate O atom of one 4-hydroxy-3-sulfonatobenzoate dianion and to the carboxylate O atom of another dianion. It is also coordinated by two water molecules in a trans-CoN2O4 octahedral environment. The dianion links adjacent metal atoms into a chain running along [110]. The chains are linked by O—H...O hydrogen bonds into a three-dimensional network.

In the title compound, [Cu2(C2H4NO2)2(C10H6O6S2)(H2O)6], the naphthalenedisulfonate group lies on a center of inversion and bridges two glycinate-chelated CuII atoms. The CuII atom exists in a CuNO4 square-pyramidal geometry that is distorted towards an octahedron owing to a long Cu—Osulfonate bond [2.636 (2) Å]. In the crystal, extensive N—H...O and O—H...O hydrogen bonds link adjacent molecules into a three-dimensional network

The two independent CdII atoms in the polymeric title compound, [Cd(C10H8N2)(H2O)4](C7H4O6S)·H2O, lie on twofold rotation axes, and each is coordinated by four water molecules and the N atoms of two 4,4′-bipyridine molecules in an octahedral geometry. Bridging gives rise to chains along [101] and [-101]. The 4-hydroxy-3-sulfonatobenzoate dianions are not connected to the CdII atoms, but form hydrogen bonds to the coordinated water molecules as well as the lattice water molecule, generating a three-dimensional network.

In the title salt, C6H10N22+·C10H6O6S22−·CH3OH·3H2O, the cation lies on a mirror plane and the anion on a center of inversion. One lattice water molecule is located on a mirror plane, another is equally disordered over two sites. The methanol solvent molecule is disordered about a mirror plane. In the crystal, the cations, anions, water and methanol molecules are linked by O—H...O and N—H...O hydrogen bonds, forming a three-dimensional network.

In the polymeric title complex, [Pb2(CH3CO2)2(C10H6O6S2)]n, the acetate anion functions in a chelating mode and both O atoms also coordinate to adjacent PbII atoms. The naphthalene-1,5-disulfonate dianion, which lies on a center of inversion, is connected to four PbII atoms. The bridging modes of the monoanion and dianion give rise to a three-dimensional coordination polymer. The PbII atom is eight-coordinate in the form of an undefined coordination polyhedron.

In the title hydrated salt, 2C3H11N2+·C10H6O6S22−·2H2O, the anion lies on a center of inversion; its sulfonate –SO3 group features one S—O bond that is longer than the other two. The O atom of this longer bond is the hydrogen-bond acceptor to the amino H atom of one cation and the ammonium H atom of another cation. In the crystal, N—H...O and O—H...O hydrogen bonds link the cations, anions and water molecules into a three-dimensional network.

In the title salt co-crystal, [Ag(C6H5N2O)(C6H6N2O)]ClO4·[Ag(C6H6N2O)2], the asymmetric unit comprises a [Ag(LH)2]+ cation, a perchlorate anion and a neutral (LH)AgL molecule, where LH is pyridine-2-carboxaldoxime. Both silver-containing species feature N,N′-chelating LH and L ligands, which define an N4 donor set that is highly distorted [dihedral angles between AgC2N2 chelate rings = 45.7 (3) and 44.3 (2)°, respectively] owing, in part, to the close approach of a neighbouring Ag atom, leading to an argentophilic interaction [Ag...Ag = 3.1868 (11) Å]. The molecular conformations are stabilized by intramolecular O—H...O hydrogen bonds. In the crystal, O—H...O interactions lead to supramolecular chains along [010]. Chains aggregate into layers in the ab plane, defining channels along [100] in which reside the perchlorate anions; the latter are disordered over two overlapped orientations in a 50:50 ratio.

The ZnII atom in the title complex, [Zn(C6H4O8S2)(H2O)5]·5H2O, is coordinated by five water molecules and an O atom of a 4,6-dihydroxybenzene-1,3-disulfonate dianion. The coordination geometry is distorted octahedral, with the Zn—Osulfonate bond relatively long compared to the Zn—Owater bonds. The coordinated and lattice water molecules interact with each other and with the hydroxy groups and sulfonate ligand through O—H...O hydrogen bonds, generating a tightly held three-dimensional network.

The reaction of silver nitrate with 5-chloro-2-hydroxybenzenesulfonic acid in the presence of ammonia yielded the title salt, (NH4)[Ag(NH3)2](C6H4ClO4S)2·3H2O. The AgI ion shows linear coordination [N—Ag—N = 175.2 (1) °]. The ammonium and diamminesilver cations, the benzenesulfonate anion and the lattice water molecules interact through an intricate network of N—H...O and O—H...O hydrogen bonds to form a three-dimensional network.

In the crystal of the title salt, 2C2H8N+·C6H4O8S22−, the anion lies on a center of inversion. The dimethylammonium cation forms one N—H...O hydrogen bond and another bifurcated N—H...O hydrogen bond. The hydroxy group links with the sulfonyl group via an intermolecular O—H...O hydrogen bond. These N—H...O and O—H...O hydrogen bonds generate a three-dimensional network.

In the title coordination polymer, {[Cd2(C10H9O5)2(C10H8N2)2(C3H7NO)2(H2O)2](NO3)2}n, the 3-(4-carboxyphenoxy)propionate monoanion O,O′-chelates to a CdII cation through the aliphatic carboxylate end. One of these O atoms is also connected to the metal cation from an inversion-related metal atom. The five O atoms bonded to the metal centre form a pentagon, above and below which are located the N atoms of the 4,4′-bipyridine molecules. The polycationic ribbon propagates along the b axis of the unit cell. The (aromatic) carboxyl end of the monoanion connects adjacent ribbons into a layer motif in the (102) plane. The nitrate ions are hydrogen bonded to the layer. The geometry of the CdII atom is a trans-N2O5Cd pentagonal bipyramid.

The coordination polymer [Zn2(C10H8O5)2(H2O)3]n adopts a layer structure in which the two independent ZnII ions exist in trigonal–bipyramidal coordination geometries. One carboxylate dianion binds to a monoaqua-coordinated metal ion through the aliphatic carboxylate end and to the diaqua-coordinated metal ion through the aromatic carboxylate end; the other dianion binds in the reverse manner. Three of the four carboxylate ends of the two dianions are also engaged in bridging interactions; these lead to a layer structure parallel to (100). Adjacent layers are linked by O—Hwater...O hydrogen bonds into a three-dimensional network.

In the crystal structure of the title salt, [Ag(NH3)2]4(C7H6O7S2)2·H2O, the four independent AgI complex cations all lie on special positions of m site symmetry, as do the two independent 2-hydroxy-5-methylbenzene-1,3-disulfonate anions. The AgI cations exist in an almost linear coordination geometry [N—Ag—N = 175.2 (2), 178.08 (16), 175.8 (2) and 178.20 (19)°]. The water molecule is disordered about a mirror plane. Two independent complex cations are linked by an Ag...Ag interaction of 3.3151 (1) Å, furnishing a linear [Ag(NH3)2]n polycationic chain running along b. The free complex cations, polycationic chain and 2-hydroxy-5-methylbenzene-1,3-disulfonate anions interact via N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network.

In the crystal structure of the polymeric title compound, [Sr(C10H6O6S2)(H2O)2]n, the naphthalene-2,7-disulfonate dianion uses one –SO3 unit to bind to two SrII cations and the other –SO3 unit to bind to three SrII cations; of the two coordinated water molecules, one is monodentate to one SrII cation, whereas the other bridges two SrII cations. The μ5-bridging mode of the dianon and the μ2-bridging mode of the water molecule generate a polymeric three-dimensional network which is consolidated by O—H...O hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.

In the title compound, C11H11N3O, the aromatic rings at either ends of the –CH2–NH– link are twisted by 72.58 (8)°; the hydroxy substituent is a hydrogen-bond donor to an N atom of the pyrimidine ring. The other N atom of the pyrimidine ring is a hydrogen-bond acceptor to the amino group of an inversion-related molecule.

The NiII atom in the title salt, [Ni(C2H8N2)3](C10H6O6S2), is chelated by three ethylenediamine ligands in an octahedral geometry. The cation and anion are linked by N—H...O hydrogen bonds into a three-dimensional network. One of the two –SO3 groups is disordered over two positions in a 1:1 ratio.

In the title compound, C12H12N2O, the aromatic rings at either ends of the –CH2–NH– link are twisted by 68.79 (7)°. In the crystal, the hydroxy substituent is a hydrogen-bond donor to the N atom of the pyridine ring of an adjacent molecule, and the hydrogen bond generates a chain along the b axis; it is also a hydrogen-bond acceptor to the amino group of another adjacent molecule. The two hydrogen bonds lead to the formation of a layer structure.

In the crystal structure of the polymeric title compound, {[Sr(C10H6O6S2)(H2O)4]·H2O}n, the naphthalene-1,6-disulfonate dianion uses one –SO3 unit to O,O′-chelate to an SrII cation and its third O atom to bind to another SrII cation. The other –SO3 unit binds to yet another SrII atom. The four coordinated water molecules are monodentate but one is disordered over two positions in a 1:1 ratio. The μ3-bonding mode of the dianion generates a polymeric three-dimensional network; the network is consolidated by O—H...O hydrogen bonds. The SrII cation exists in an undefined eight-coordinate environment.

The MnII atom in the title salt, [Mn(H2O)6](C13H10NO3)2·2H2O, lies on a center of inversion in an octahedron of water molecules. The cations, anions and uncoordinated water molecules are linked by O—H...O and O—H...N hydrogen bonds into a three-dimensional network. The anion is essentially planar, with an r.m.s. deviation of all non-H atoms of 0.068 Å.

The CoII atom in the title salt, [Co(H2O)6](C13H10NO3)2·2H2O, lies on a center of inversion in an octahedron of water molecules. The cations, anions and uncoordinated water molecules are linked by O—H...O and O—H...N hydrogen bonds into a three-dimensional network. The anion is essentially planar, with an r.m.s. deviation of all non-H atoms of 0.066 Å.

The two CoII atoms in the title salt, [Co(H2O)6][Co(C4H4O4S)2]·4H2O, exist in an octahedral coordination environment. In the cation, the Co atom is surrounded by six water molecules, and in the anion, it is bis-O,S,O′-chelated by the thioacetate ligands. The cations, anions and uncoordinated water molecules are linked by O—H...O hydrogen bonds into a three-dimensional network.

In the title polymeric compound, [Cd(C9H12O4)(C10H8N2)]n, the CdII atom is located on a twofold rotation axis and is coordinated by two 4,4′-bipyridine ligands and two 2,2-dimethylcyclopentane-1,3-dicarboxylate ions. The carboxylate ion and the N-heterocycle both function as bridges to link adjacent CdII atoms to result in the formation of a layer structure parallel to (010). The mid-point of the central C—C bond of the 4,4′-bipyridine ligand is located on an inversion center. In the crystal, the carboxylate ion is disordered over a twofold rotation axis in respect of its methyl group and the cyclopentane ring.

The water-coordinated LaIII atom in the title compound, {[La(C5H4N3O2)(C2O4)(H2O)2]·H2O}n, is N,O-chelated by a 3-aminopyrazine-2-carboxylate ion; this ion links adjacent metal atoms to form a chain parallel to [010]. The oxalate ion serves as a bis-bidentate chelate that links adjacent metal atoms to form a chain parallel to [001]. The two bridging ions give rise to a layer motif parallel to (100) in which the LaIII atom exists in a distorted tricapped trigonal prismatic geometry. Extensive hydrogen bonding between the constituents stabilizes the structure.

The water-coordinated ErIII atom in the title compound, [Er(C5H4N3O2)3(H2O)2]·4H2O, is N,O-chelated by three 3-aminopyrazine-2-carboxylate ions and has a square-antiprismatic geometry. The mononuclear molecule interacts with the solvent water molecules to generate a three-dimensional hydrogen-bonded network.

The asymmetric unit of the polymeric title compound, {[Pr2(C5H4N3O2)5(CHO2)(H2O)5]·6H2O}n, has two independent PrIII atoms; one is coordinated by two water molecules and the other by three water molecules. The first is N,O-chelated by three 3-aminopyrazine-2-carboxylate ions, whereas the second is chelated by two carboxylate ions; both exist in a monocapped square-antiprismatic geometry. The polymeric chains that run along the a axis interact with the lattice water molecules, generating a three-dimensional hydrogen-bonded network. The formate ion is disordered over two positions with respect to the non-coordinated atoms in a 1:1 ratio.

In the title adduct, [ZnCl2(C4H5N3)2], the ZnII atom lies on a twofold rotation axis that relates one Cl atom to the other as well as one 2-aminopyrazine ligand to the other; the coordination geometry is a distorted tetrahedron. In the crystal, adjacent molecules are linked by N—H...N hydrogen bonds across the center of inversion, generating a chain; neighboring chains are linked by N—H...Cl hydrogen bonds, forming a three-dimensional network.

The MnII atom in the title compound, [Mn(CH3COO)2(C4H5N3)2(H2O)2]·2H2O, is situated on a center of inversion and shows an octahedral coordination polyhedron made up by four O atoms and two N atoms. The octahedron is somewhat tetragonally distorted owing to the longer Mn—N bond [2.323 (3) Å]. The mononuclear complex molecule and uncoordinated water molecules are linked by O—H...N, N—H...O and O—H...O hydrogen bonds, generating a three-dimensional network.

The crystal structure of the polymeric title compound, {[HgCl2(C18H18N4)]·C3H7NO}n, features an N-heterocyclic ligand which links adjacent HgCl2 units into a helical chain running along the b axis. The coordination geometry of the HgII atom is a distorted tetrahedron. The dimethylformamide molecule is disordered over two positions in a 1:1 ratio, and is linked to the complex molecules via N—H...O hydrogen bonds.

The reaction of 4-aminopyridine and oleum yielded the title hydrated zwitterion, C5H6N2O3S·H2O. There are two formula units in the asymmetric unit. The H and non-H atoms of both zwitterions lie on a mirror plane except for one sulfonate O atom. The water molecules are also situated on a mirror plane. In the crystal, the zwitterions and water molecules are linked by O—H...O and N—H...O hydrogen bonds, generating a three-dimensional network.

The reaction of 4-hydroxypyridine and oleum produces 4-hydroxypyridinium-3-sulfonate, C5H5NO4S, which shows delocalized bonds in the six-membered ring. In the crystal, adjacent zwitterions are linked by N—H...O and O—H...O hydrogen bonds into a layer motif. The crystal studied was a racemic twin.

The cation of the title salt, C18H20N42+·2HSO4−·2H2O, lies on a center of inversion with the mid-point directly in the middle of the p-phenylene ring. Within the hydrogensulfate ion, the S—O(H) bond is the longest of the S—O bonds. The dihedral angle between the central and terminal ring of the cation is 78.6 (2)°. In the crystal, the cation, anion and water molecule interact by O—H...O and N—H...O hydrogen bonds, generating a three-dimensional network.

The CdII atom in the title compound, [CdCl2(C10H8N2)2] exists in a distorted octahedral geometry [N—Cd—N = 148.29 (17)°]; the Cl atoms are cis with respect to each other.

In the coordination polymer, {(C2H8N)[Cd(CHO2)3]}n, the CdII atom lies on a special position of overline{3} site symmetry in an octahedron of O atoms. The formate unit bridges the metal atoms, generating a three-dimensional polyanionic framework. The disordered cations occupy the cavities within the framework, and are N—H...O hydrogen-bonded to the framework.

The water-coordinated ZnII atom in the title salt, [Zn(C5H5N3O2)2(H2O)2](NO3)2, is N,O-chelated by a zwitterionic aminopyraziniocarboxylate unit; the metal atom, which lies on a center of inversion, shows an octahedral coordination. The nitrate ion interacts indirectly, through N—H...O hydrogen bonds. In the crystal, adjacent cations and anions are connected by O—H...O hydrogen bonds into a three-dimensional network motif. The crystal studied was a non-merohedral twin with two minor components of 15.1 (1) and 8.0 (1)%.

The water-coordinated Zn atom in the title monoaqua zinc nitrate adduct of 2-aminopyrimidine, [Zn(NO3)2(C4H5N3)2(H2O)], is bonded to a monodentate nitrate ion and is chelated by the other nitrate ion. The heterocyclic ligands coordinate through ring N-donor sites. The coordination geometry about the Zn(II) atom is a distorted octahedron. Intramolecular N—H...O hydrogen bonds occur. In the crystal, adjacent adduct molecules are linked by O—H...O, O—H...N and N—H...O hydrogen bonds into a layer motif parallel to (001).