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Cis-Tetra-aqua-bis-{5-[4-(1H-imidazol-1-yl-?N(3))phen-yl]tetra-zolido}manganese(II) dihydrate.

ABSTRACT: In the title compound, [Mn(C(10)H(7)N(6))(2)(H(2)O)(4)]·2H(2)O, the Mn(2+) lies on a twofold rotation axis and is six-coordinated by two N atoms from the cis-related monodentate 5-[4-(imidazol-1-yl)phen-yl]tetra-zolide ligands and four O atoms from the coordinated water mol-ecules. The complex mol-ecules are connected via water O-H?O and O-H?N hydrogen bonds and weak ?-? stacking inter-actions between the benzene rings [minimum ring centroid separation = 3.750?(6)?Å] into a three-dimensional polymeric structure. The imidazolyl group of the ligand is partially disordered over two sets of sites with refined occupancies of 0.531?(7):0.469?(7).

SUBMITTER: Tong SW

PROVIDER: S-EPMC3343834 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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cis-Tetra-aqua-bis-{5-[4-(1H-imidazol-1-yl-?N(3))phen-yl]tetra-zolido}manganese(II) dihydrate.

Project description:In the title compound, [Mn(C(10)H(7)N(6))(2)(H(2)O)(4)]·2H(2)O, the complex unit comprises an Mn(2+) ion, coordinated by two imidazole N atoms from cis-related monodentate 5-[4-(imidazol-1-yl)phen-yl]tetra-zolide ligands and four water mol-ecules, together with two water mol-ecules of solvation. The Mn(2+) ion lies on a twofold rotation axis and has a slightly distorted octa-hedral geometry. The mol-ecules are connected by O-H?N and O-H?O hydrogen bonds involving both coordinated and solvent water mol-ecules, generating a three-dimensional structure. Two C atoms of the imidazole ring of the ligand are each disordered over two sites with occupancy factors of 0.75 and 0.25.

| S-EPMC3343820 | biostudies-other

Tetra-aqua-bis-{5-[4-(imidazol-1-yl-?N)phen-yl]tetra-zolido}manganese(II).

Project description:In the title complex, [Mn(C(10)H(7)N(6))(2)(H(2)O)(4)], the Mn(2+) cation is located on a twofold rotation axis and is coordinated by two N atoms from two 5-[4-(imidazol-1-yl)phen-yl]tetra-zolide ligands and four O atoms from four water mol-ecules, displaying a distorted MnN(2)O(4) octa-hedral geometry. The crystal structure is stabilized by intermolecular O-H?N hydrogen bonds involving the coordinated water mol-ecules and the N atoms of the tetra-zolide group.

| S-EPMC3238663 | biostudies-literature

Tetra-aqua-bis{5-[2-(1H-tetrazol-5-yl)ethenyl]pyrazolato-κN}manganese(II) dihydrate.

Project description:The title compound, [Mn(C(4)H(3)N(8))(2)(H(2)O)(4)]·2H(2)O, represents the first structurally characterized transition metal complex of the 1,2-bis-(tetra-zol-5-yl)ethene ligand. The complex mol-ecule occupies a special position on an inversion centre and the Mn atom has a tetra-gonally distorted octa-hedral coordination. The bis-(tetra-zolyl)ethene ligand is planar within 0.0366 (7) Å. All 'active' H atoms participate in hydrogen bonds, which link mol-ecules of the complex and the uncoordinated water mol-ecules into an infinite three-dimensional framework.

| S-EPMC2961402 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-2H-tetra-zole dihydrate.

Project description:In the title compound, C(10)H(8)N(6)·2H(2)O, the central aromatic ring makes dihedral angles of 23.59?(15) and 16.99?(16)° with the terminal imidazole and tetra-zole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61?(18)°]. Two H atoms of the two water mol-ecules are half occupied. In the crystal packing, weak inter-molecular O-H?N, O-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances of 3.73?(4)?Å between benzene rings and 3.66?(3)?Å between imidazole and tetra-zole rings] are observed.

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Tetra-aqua-bis[4-(imidazol-1-yl-?N)benzoato]manganese(II).

Project description:In the title compound, [Mn(C(10)H(7)N(2)O(2))(2)(H(2)O)(4)], the Mn(II) atom, lying on an inversion center, has an octa-hedral environment with four coordinated water mol-ecules in the equatorial plane and two N atoms from two 4-(imidazol-1-yl)benzoate ligands at the axial sites. The complex mol-ecules are connected into a three-dimensional network by extensive hydrogen bonds between the water mol-ecules and the carboxyl-ate O atoms.

| S-EPMC2979258 | biostudies-literature

Tetra-aqua-bis-[4-(pyrazin-2-ylsulfanylmeth-yl)benzoato]manganese(II) dihydrate.

Project description:The title compound, [Mn(C(12)H(9)N(2)O(2)S)(2)(H(2)O)(4)]·2H(2)O, has been synthesized with a flexible asymmetrical bridging ligand, 4-(pyrazin-2-ylsulfanylmeth-yl)benzoic acid (Hpztmb). The Mn(II) ion exhibits a centrosymmetric octa-hedral geometry involving two carboxyl-ate O atoms of two different pztmb ligands and four O atoms of four coordinated water mol-ecules. The packing shows a three-dimensional supra-molecular network via O-H?O and O-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.884?(8) and 4.034?(8)?Å] between the benzene ring of one pztmb anion and the pyrazine ring of an adjacent anion.

| S-EPMC3011441 | biostudies-literature

Aqua-[bis-(2-ethyl-5-methyl-1H-imidazol-4-yl-κN)methane]-oxalatocopper(II) dihydrate.

Project description:In the title compound, [Cu(C(2)O(4))(C(13)H(20)N(4))(H(2)O)]·2H(2)O, the Cu(II) atom exhibits a distorted square-pyramidal geometry with the two N atoms of the imidazole ligand and the two O atoms of the oxalate ligand forming the basal plane, while the O atom of the coordinated water mol-ecule is in an apical position. The Cu(II) atom is shifted 0.232 (2) Å out of the basal plane toward the water mol-ecule. The asymmetric unit is completed by two solvent water mol-ecules. These water mol-ecules participate in the formation of an intricate three-dimensionnal network of hydrogen bonds involving the coordinated water mol-ecule and the NH groups.

| S-EPMC3051616 | biostudies-literature

Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

Project description:In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53 (6) and 6.53 (7)° with the deprotonated tetra-zole rings, and 11.39 (6) and 10.41 (9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H⋯N, N-H⋯O and N-H⋯N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. π-π stacking inter-actions between benzene rings [inter-centroid distances are 3.8482 (4) and 3.9621 (5) Å] and between tetra-zole rings [inter-centroid distances are 3.4350 (4) and 3.7169 (4) Å] further consolidate the crystal structure.

| S-EPMC3200657 | biostudies-literature

Tetra-aqua-bis{2-[4-(3-pyrid-yl)pyrimidin-2-ylsulfan-yl]acetato}manganese(II) dihydrate.

Project description:In the title compound, [Mn(C(11)H(8)N(3)O(2)S)(2)(H(2)O)(4)]·2H(2)O, the Mn(II) ion lies on an inversion centre and is coordinated by four water mol-ecules in equatorial positions and two N atoms from two 2-[4-(3-pyrid-yl)pyrimidin-2-ylsulfan-yl]acetate ligands in the axial positions. The water mol-ecules, including the uncoordinated water mol-ecules, and the acetate O atoms are involved in O-H⋯O and O-H⋯N hydrogen-bonding inter-actions, which link the components into layers parallel to the a (b + c) plane.

| S-EPMC2970048 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

Project description:In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90?(16)°], but the imidazole ring is rotated 37.18?(09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H?N hydrogen bonds, giving rise to zigzag chains, which extend along [010].

| S-EPMC3344427 | biostudies-literature

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