metal-organic compounds
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In the title compound, [Co(C5H4N3O2)2(H2O)2], the CoII atom is situated on a twofold rotation axis and is N,O-chelated by two 3-aminopyrazine-2-carboxylate anions and additionally bonded to the O atoms of two water molecules, leading to a slightly distorted octahedral coordination environment. The crystal packing is dominated by intermolecular O—HO, O—HN and N—HO hydrogen bonding involving the water molecules and amino groups as donors and carboxylate O atoms, as well as the non-coordinating heterocyclic N atoms as acceptors, resulting in a three-dimensional network. An intramolecular N—HO hydrogen bond is also observed.
metal-organic compounds
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In the title complex, [Zn(N3)2(C7H10N2)2], the ZnII atom is coordinated by two N atoms from two 4-(dimethylamino)pyridine (DMAP) ligands and by two N atoms from two azide anions in a distorted tetrahedral coordination geometry. In the crystal, weak C—HN hydrogen bonds between the DMAP and azide ligands link these discrete complex molecules into a three-dimensional supramolecular network.
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The title layered polymer, [Co(N3)2(C7H10N2)2]n, contains CoII, azide and 4-(dimethylamino)pyridine (4-DMAP) species with site symmetries m2m, 2 and m, respectively. The Co2+ ion adopts an octahedral coordination geometry in which four N atoms from azide ligands lie in the equatorial plane and two 4-DMAP N atoms occupy the axial positions. The CoII atoms are connected by two bridging azide ligands, resulting in a chain parallel to the c axis.
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The title compound, {[Co(C10H8N2)2(H2O)2](NO3)2·4H2O}n, (C10H8N2 = 4,4′-bipyridine = 4,4′-bpy) is a layered coordination polymer built up from a cationic square grid extending in (101) enclosing uncoordinating nitrate ions and water molecules. The CoII ion has site symmetry 2 and one of the 4,4′-bpy ligands is generated by twofold symmetry [two N atoms and two C atoms lie on the rotation axis and the dihedral angle between the pyridine rings is 45.66 (5)°]. The other 4,4′-bpy ligand is generated by a crystallographic inversion center. The CoII ion exhibits a slightly distorted octahedral coordination geometry defined by two O atoms of two coordinating water molecules and four N atoms from four bridging 4,4′-bpy ligands. The structure is consolidated by O—HO, C—HO and C—HN hydrogen bonds.
metal-organic compounds
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The title salt, (C7H11N2)[FeCl4], consists of one essentially planar (the r.m.s. deviation for all non-H atoms being 0.004 Å) 4-(dimethylamino)pyridinium cation and a tetrahedral tetrachloridoferrate(III) anion. The cations and anions are arranged in layers parallel to (010). Besides electrostatic interactions, the crystal packing features N—HCl and C—HCl hydrogen bonds between cations and anions, forming a three-dimensional network.
metal-organic compounds
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The title mononuclear CuII complex, [Cu(C9H7O2)2(C12H8N2)], is comprised of a CuII cation, two cinnamate (L−) ligands and a 1,10-phenanthroline (phen) ligand. The CuII atom and phen ligand lie on a twofold rotation axis. The CuII atom is coordinated by two O atoms from two carboxylate groups of two (L−) ligands and two N atoms from one phen ligand, exhibiting a distorted square-planar geometry. In the crystal, molecules are assembled into supramolecular chains parallel to the c axis through weak C—HO hydrogen bonds involving the phen and cinnamate ligands.
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In the title compound, [Ni(C5H4N3O2)2(H2O)2]·2H2O, the NiII ion lies on an inversion center and is coordinated in an slightly distorted octahedral environment by two N,O-chelating 3-aminopyrazine-2-carboxylate (APZC) ligands in the equatorial plane and two trans-axial aqua ligands. In the crystal, O—HO, N—HO and O—HN hydrogen bonds involving the solvent water molecules, aqua and APZC ligands form layers parallel to (010). These layers are linked further via O—HO, N—HO and C—HO hydrogen bonds involving the axial aqua ligands, amino groups and the carboxylate groups of the APZC ligands, forming a three-dimensional network.
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In the monomeric title complex, [Co(C6H8O4)(C10H9N3)(H2O)2]·3H2O, the distorted octahedral CoN2O4 coordination environment comprises two N-atom donors from the bidentate dipyridyldiamine ligand, two O-atom donors from one of the carboxylate groups of the bidentate chelating adipate ligand and two water molecules. In addition, there are three solvent water molecules which are involved in both intra- and inter-unit O—HO hydrogen-bonding interactions, which together with an amine–water N—HO hydrogen bond produce a three-dimensional framework.
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The crystal structure of the title compound, {[Ba(C4HO4)2(H2O)5]·H2O}n, consists of discrete double chains propagating along [010]. The chains are formed by BaII ions linked by bridging hydrogen squarate ligands in a trans-bis-monodentate mode. In addition, the bridging hydrogen squarate ligands connect the chains into a ladder structure via a third coordinating O atom. The remaining coordination sites are occupied by five aqua ligands and a second mondendate hydrogen squarate ligand, forming a slightly distorted tricapped trigonal–prismatic geometry. O—HO hydrogen bonds link the chains and solvent water molecules into a three-dimensional network.
metal-organic compounds
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In the anion of the title compound, (C7H11N2)[CoCl3(C7H10N2)], the CoII ion is coordinated by one N atom from a 4-(dimethylamino)pyridine (DMAP) ligand and three Cl atoms, forming a CoNCl3 polyhedron with a distorted tetrahedral geometry. In the crystal, cations and anions are linked via weak N—HCl and C—HCl hydrogen bonds. Double layers of complex anions stack along the b- axis direction, which alternate with double layers of 4-(dimethylamino)-pyridinium cations.
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The title polymeric compound, [Cu2(C8H7O2)4]n, was synthesized by the reaction of copper acetate with aqueous phenylacetic acid. The unique CuII atom is coordinated by five O atoms from the carboxylate groups of phenylacetate ligands, and the strongly distorted octahedral coordination environment is completed by a Cu—Cu bond of 2.581 (2) Å, at whose mid-point is located an inversion centre. The crystal structure consists of infinite polymeric linear chains of Cu2+ ions, running along [100], linked by bridging phenylacetate groups.
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The CuII atom in the title compound, [Cu(C16H10ClN2O)2], is located on an inversion center and is tetracoordinated by two N and two O atoms from two bidentate 1-[(E)-(2-chlorophenyl)diazenyl]naphthalen-2-olate ligands, forming a square-planar complex. In the crystal, molecules are linked via weak C—HO and C—HCl hydrogen bonds, forming chains propagating along [010]. There are also π–π interactions present involving adjacent naphthalene rings [centroid–centroid distance = 3.661 (13) Å].
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In the title compound, C8H6N2O3S, the dihedral angle between the nitro group and the benzene ring is 6.76 (9)°. The bond-angle sum at the S atom is 308.1°. In the crystal, molecules are linked by C—HO hydrogen bonds to generate (010) sheets. The crystal studied was found to be a racemic twin.
metal-organic compounds
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In the title salt, [Co(C7H9NO)2(H2O)2]Cl2, the CoII cation, located on an inversion center, is N,O-chelated by two hydroxyethylpyridine ligands and coordinated by two water molecules in a distorted O4N2 octahedral geometry. In the crystal, the Cl− anions link with the complex cations via O—HCl hydrogen bonds, forming a three-dimensional supramolecular architecture. π–π stacking is observed between the pyridine rings of adjacent molecules [centroid–centroid distance = 3.5810 (11) Å].
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The title compound, [Cu2Cl4(C7H8N2O)2], crystallizes as discrete [CuLCl2]2 (L = 2-aminobenzamide) dimers with inversion symmetry. Each CuII ion is five-coordinated and is bound to two bridging chloride ligands, a terminal chloride ligand and a bidentate 2-aminobenzamide ligand. The crystal structure exhibits alternating layers parallel to (010) along the b-axis direction. In the crystal, the components are linked via N—HCl hydrogen bonds, forming a three-dimensional network. These interactions link the molecules within the layers and also link the layers together and reinforce the cohesion of the structure.
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The title compound, [Co2(C8H7O2)4(C7H10N2)2], crystallizes as a centrosymmetric dimer containing two CoII atoms bridged by four bidentate phenylacetate ligands in syn–syn bridging modes. Each CoII atom is five-coordinated by four O atoms from four different carboxylate ligands and the ring N atom of a 4-(dimethylamino)pyridine unit, generating a distorted square-pyramidal geometry in which the four O atoms form the basal plane and the N atom occupies the axial position. In the crystal, C—HO interactions link the dinuclear complex molecules into a three-dimensional network.
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The asymmetric unit of the title salt, (C7H11N2)2[CuCl4], comprises half a tetrahedral tetrachloridocuprate anion, being located on a twofold axis, and a protonated 4-(dimethylamino)pyridine cation. The geometry around the CuII ion is highly distorted with the range of Cl—Cu—Cl angles being 94.94 (1)–141.03 (1)°. The crystal structure is stabilized by N—HCl and C—HCl hydrogen bonds. In the three-dimensional network, cations and anions pack in the lattice so as to generate chains of [CuCl4]2− anions separated by two orientations of cation layers, which are interlocked through π–π stacking contacts between pairs of pyridine rings, with centroid–centroid distances of 3.7874 (7) Å.
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In the title hydrated molecular salt, C12H14N2S22+·2Cl−·2H2O, the dihedral angle between the benzene rings in the dication is 9.03 (17)° and the C—S—S—C torsion angle is 96.8 (2)°. The crystal packing can be described as alternating organic and anionic water layers lying parallel to (100), which are linked by N—HCl and N—HO hydrogen bonds. O—HCl hydrogen bonds and aromatic π–π stacking interactions [centroid–centroid separation = 3.730 (3) Å] are also observed.
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The crystal packing of the title salt, C6H11N2O+·I3−, can be described as consisting of alternating layers of cations and anions parallel to the (100) plane along the a-axis direction. The components are linked by O—HI, C—HI and C—HO interactions, generating a three-dimensional network. The O atom deviates from the imidazol ring by 0.896 (2) Å.
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In the cation of the title compound, C10H13N2O+·I−, all non-H atoms, with the exception of the O atom, are essentially coplanar, with a maximum deviation of 0.04 (1) Å. In the crystal, the cations and anions are arranged in layers parallel to (100). The cations are connected to the anions via an O—HI hydrogen bond and there are significant π–π stacking interactions between cation layers, with centroid–centroid distances in the range 3.606 (5)–3.630 (5) Å. A weak intramolecular C—HO hydrogen bond is also observed. The crystal studied was an inversion twin with refined components of 0.52 (5) and 0.48 (5).
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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—HO hydrogen-bonding interactions. The cations and anions form separate layers alternating along the c axis, which are linked by N—HO and O—HO hydrogen bonds into a two-dimensional network parallel to (100). Further O—HO contacts connect these layers, forming a three-dimensional network, in which two R44(12) rings and C22(13) infinite chains can be identified.
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In the title Schiff base salt, C16H13N2O+·ClO4−, the pyridine ring and the naphthalene ring system are approximately co-planar [making a dihedral angle of 6.05 (12)°] and an intramolecular O—HN hydrogen bond occurs between the hydroxyl and imino groups. In the crystal, the cations and anions are linked by N—HO and weak C—HO hydrogen bonds, forming the supramolecular layers parallel to (100). The crystal studied was an inversion twin refined with minor component = 0.43 (13).
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In the title compound, C20H15ClN2, the pyrimidine ring is in a flattened half-chair conformation. The phenyl and chloro-substituted benzene rings form dihedral angles of 84.97 (5) and 80.23 (4)°, respectively, with the benzene ring of the dihydroquinazoline group. The dihedral angle between the phenyl and chloro-substituted benzene rings is 61.71 (5)°. In the crystal, molecules are arranged in intersecting layers parallel to (101) and (-102), with N—HN hydrogen bonds linking molecules along [010]. In addition, a weak C—Hπ interaction is observed.
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In the title compound, C24H18ClN3, the dihydroquinazoline and methyl-substituted quinoline benzene rings make a dihedral angle of 78.18 (4)° and form dihedral angles of 45.91 (5) and 79.80 (4)°, respectively, with the phenyl ring. The dihedral angle between the phenyl ring of dihydroquinazoline and the methyl-substituted benzene ring of quinoline is 78.18 (4)°. The crystal packing can be described as crossed layers parallel to the (011) and (0-11) planes. The structure features N—HN hydrogen bonds and π–π interactions [centroid–centroid distance between phenyl rings = 3.7301 (9) Å].