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Catena-Poly[[[aqua-bis-(4,4'-bipyridine-?N)zinc]-?-l-tyrosinato-?N,O:O] nitrate dihydrate].

ABSTRACT: In the title compound, {[Zn(C(9)H(10)NO(3))(C(10)H(8)N(2))(2)(H(2)O)]NO(3)·2H(2)O}(n), the Zn(II) atom is six-coordinated in a distorted octa-hedral geometry by two carboxyl-ate O atoms and one amino N atom from two l-tyrosinate ligands, two N atoms from two 4,4'-bipyridine ligands, and one water mol-ecule. Adjacent Zn atoms are bridged by the bidentate carboxyl-ate groups into a cationic chain extending along [010]. N-H?N, O-H?N and O-H?O hydrogen bonds link the cationic chains, nitrate anions and uncoordinated water mol-ecules into a supra-molecular network. ?-? inter-actions between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.615?(4) and 3.636?(4)?Å] are present.

SUBMITTER: Li SQ

PROVIDER: S-EPMC3152081 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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catena-Poly[[[(1,10-phenanthroline-?N,N')zinc]-?-pyridine-2,3-dicarboxyl-ato-?N,O:O,O] monohydrate].

Project description:In the title complex, {[Zn(C(7)H(3)NO(4))(C(12)H(8)N(2))]·H(2)O}(n), the Zn(II) ion is in a distorted octa-hedral environment, defined by two N atoms from a chelating 1,10-phenanthroline (phen) ligand and one N atom and three O atoms from two pyridine-2,3-dicarboxyl-ate (2,3-pydc) ligands. The bridging 2,3-pydc ligands connect the Zn(II) ions into a chain extending along [010]. O-H?O hydrogen bonds between the uncoordinated water mol-ecules and the uncoordinated carboxyl-ate O atoms, as well as ?-? inter-actions between the pyridine rings of the phen ligands [centroid-centroid distance = 3.557?(2)?Å], are observed.

1000-01-01 | S-EPMC3152098 | BioStudies

2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carb-oxy-4-hy-droxy-pyridine-2-carboxyl-ato-?O,N,O)(4-hy-droxy-pyridine-2,6-dicarboxyl-ato-?O,N,O)zincate(II) 2.35-hydrate: a proton-transfer compound.

Project description:In the title compound, (C(14)H(13)N(2))[Zn(C(7)H(3)NO(5))(C(7)H(4)NO(5))]·2.35H(2)O, the Zn(II) atom is coordinated by two N atoms and four O atoms from the carboxyl-ate groups of the 4-hy-droxy-pyridine-2,6-dicarboxyl-ate and 6-carb-oxy-4-hy-droxy-pyridine-2-carboxyl-ate ligands, forming a distored octa-hedral geometry. In the anion, the two pyridine rings are inclined to one another by 87.75?(13)°. Two types of robust O-H?O hydrogen bond synthons, viz. R(2) (2)(16) and R(6) (6)(42), link the anions to form a two-dimensional network parallel to the bc plane. Furthermore, O-H?O, N-H?O, N-H?N and weak C-H?O hydrogen bonds connect the two dimensional networks, forming a three-dimensional structure. In the crystal, there are also C-H?? and ?-? inter-actions [centroid-centroid distances of 3.5554?(18) and 3.7681?(18)?Å], and C=O?? inter-actions [O?centroid distance = 3.117?(2)?Å] present. One of the three crystal water molecules shows an occupancy of 0.35.

1000-01-01 | S-EPMC3254305 | BioStudies

Tetra-kis(?-4-methyl-benzoato-?O:O')bis-[(N,N-diethyl-nicotinamide-?N)zinc(II)].

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)], the Zn atoms [Zn?Zn' = 2.9494?(3)?Å] are bridged by four 4-methyl-benzoate (PMB) anions. The four nearest O atoms around each Zn(II) ion form a distorted square-planar arrangement, the octahedral coordin-ation being completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. Each Zn(II) ion is displaced by 0.3530?(1)?Å from the plane of the four O atoms. The dihedral angles between carboxyl-ate groups and their adjacent benzene rings are 5.88?(10) and 11.89?(9)°, while the benzene rings are oriented at a dihedral angle of 75.19?(4)°. The pyridine ring is oriented at dihedral angles of 38.28?(4) and 49.17?(4)° with respect to the benzene rings. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between parallel benzene rings [centroid-centroid distance = 3.8388?(8)?Å] and between parallel pyridine rings [centroid-centroid distance = 3.4855?(7)?Å] may further stabilize the crystal structure.

2010-01-01 | S-EPMC2983782 | BioStudies

Poly[[[?(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-?N:N](?(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-?O:O)zinc] dihydrate].

Project description:In the title coordination polymer, {[Zn(C(9)H(7)NO(4))(C(10)H(14)N(4))]·2H(2)O}(n), the Zn(II) ion displays a distorted tetra-hedral geometry with two imidazole N atoms from two 1,1'-(butane-1,4-di-yl)bis-(imidazole) (bbi) ligands and two carboxyl-ate O atoms from two 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (dpdc) ligands. The bbi and dpdc ligands bridge the Zn(II) ions, forming layers parallel to (011). O-H?O and O-H?N hydrogen bonds and ?-? inter-actions between the imidazole rings [centroid-centroid distance = 3.807?(5)?Å] connect the layers. Two of the three uncoordinated water mol-ecules are disordered, each over two 0.25-occupancy positions.

2011-01-01 | S-EPMC3201321 | BioStudies

Diaqua-bis-(N,N-diethyl-nicotinamide-?N(1))bis-(4-formyl-benzoato-?O(1))zinc.

Project description:In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.96?(11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26?(4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H?O hydrogen bond. In the crystal, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. A ?-? contact between the parallel pyridine rings of adjacent mol-ecules may further stabilize the crystal structure [centroid-centroid distance = 3.5654?(8)?Å].

2012-01-01 | S-EPMC3414129 | BioStudies

Tetra-kis[?-4-(methyl-amino)-benzoato-?O:O']bis-[(N,N-diethyl-nicotinamide-N)zinc(II)] dihydrate.

Project description:The title mol-ecule, [Zn(2)(C(8)H(8)NO(2))(4)(C(10)H(14)N(2)O)(2)]·2H(2)O, is a centrosymmetric binuclear complex, with two Zn(II) ions [Zn?Zn' = 2.9301?(4)?Å] bridged by four methyl-amino-benzoate (MAB) ligands. The four nearest O atoms around each Zn(II) ion form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. Each Zn(II) ion is displaced by 0.3519?(2)?Å from the plane of the four O atoms, with an average Zn-O distance of 2.030?Å. The dihedral angles between carboxyl-ate groups and adjacent benzene rings are 10.57?(10) and 16.63?(12)°, while the benzene rings are oriented at a dihedral angle of 81.84?(5)°. The pyridine ring is oriented at dihedral angles of 40.49?(6) and 51.25?(6)° with respect to the benzene rings. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The ?-? contact between the inversion-related pyridine rings [centroid-centroid distance = 3.633?(1)?Å] may further stabilize the crystal structure.

1000-01-01 | S-EPMC2971338 | BioStudies

Diaqua-bis-(4-formyl-benzoato-?O(1))bis-(nicotinamide-?N(1))zinc.

Project description:In the title complex, [Zn(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 24.13?(8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52?(4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an O-H?O hydrogen bond. In the crystal, N-H?O and O-H?O hydrogen bonds, and a weak C-H?? inter-action link the mol-ecules into a two-dimensional network parallel to (010). These networks are linked via C-H?O and ?-? inter-actions between inversion-related benzene rings [centroid-centroid distance = 3.8483?(7)?Å], forming a three-dimensional supra-molecular structure.

1000-01-01 | S-EPMC3414168 | BioStudies

Tetra-kis[?-4-(dimethyl-amino)benzoato-?O:O']bis-[(N,N-diethyl-nicotinamide-?N)zinc(II)].

Project description:The title mol-ecule, [Zn(2)(C(9)H(10)NO(2))(4)(C(10)H(14)N(2)O)(2)], is a centrosymmetric binuclear complex, with Zn atoms [Zn?Zn' = 2.8927?(4)?Å] bridged by four carboxyl-ate groups from the dimethyl-amino-benzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326?(2)?Å from the plane of the four O atoms, with an average Zn-O distance of 2.0416?(12)?Å. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 5.31?(8) and 11.00?(9)°, while the pyridine ring is oriented at dihedral angles of 66.26?(6) and 37.88?(7)° with respect to the benzene rings. Weak intra-molecular C-H?O and inter-molecular C-H?? inter-actions are present.

1000-01-01 | S-EPMC2971944 | BioStudies

catena-Poly[[(1,10-phenanthroline)zinc]-?-2,2'-oxydibenzoato].

Project description:In the title one-dimensional coordination polymer, [Zn(C(14)H(8)O(5))(C(12)H(8)N(2))](n), the Zn(II) ion is in a distorted octa-hedral coordination geometry with four O atoms from two carboxyl-ate groups in bidentate chelating modes and two N atoms from a 1,10-phenanthroline ligand. The two terminal carboxyl-ate groups bind the Zn(II) ions, leading to a chain along the c axis. Adjacent chains are further linked by inter-molecular ?-? inter-actions with a shortest centroid-centroid distance of 3.586?(3)?Å, forming a two-dimensional supra-molecular architecture with (6,3)-network topology.

1000-01-01 | S-EPMC3212257 | BioStudies

[Malonato(2-)-?O,O']bis-(1,10-phenanthroline-?N,N')zinc(II) penta-hydrate.

Project description:In the title complex, [Zn(C(3)H(2)O(4))(C(12)H(8)N(2))(2)]·5H(2)O, the Zn(II) cation displays a distorted octa-hedral geometry, being coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from different carboxyl-ate groups of the chelating malonate dianion. In the crystal, the complexes are linked into a three-dimensional supra-molecular network by both O-H?O hydrogen-bonding inter-actions between water mol-ecules and the uncoordinated carboxyl-ate O atoms of neighboring mol-ecules, and aromatic ?-? stacking inter-actions between neighboring phenanthroline rings with centroid-centroid distances of 3.4654?(17) and 3.697?(2)?Å.

1000-01-01 | S-EPMC3050196 | BioStudies

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