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Poly[di-?-aqua-bis-(?-2-amino-4-nitro-benzoato)dicaesium].

ABSTRACT: In the structure of title compound, [Cs(2)(C(7)H(5)N(2)O(4))(2)(H(2)O)(2)](n), the asymmetric unit contains two independent Cs atoms comprising different coordination polyhedra. One is nine-coordinate, the other seven-coordinate, both having irregular configurations. The CsO(9) coordination polyhedron comprises O-atom donors from three bridging water mol-ecules, one of which is doubly bridging, three from carboxyl-ate groups, and three from nitro groups, of which two are bidentate chelate bridging. The CsO(6)N coordination polyhedron comprises the two bridging water mol-ecules, one amine N-atom donor, one carboxyl-ate O-atom donor and four O-atom donors from nitro groups (two from the chelate bridges). The extension of the dimeric unit gives a three-dimensional polymeric structure, which is stabilized by both intra- and inter-molecular amine N-H?O and water O-H?O hydrogen bonds to carboxyl-ate O-atom acceptors, as well as inter-ring ?-? inter-actions [minimum ring centroid-centroid separation = 3.4172?(15)?Å].

SUBMITTER: Smith G

PROVIDER: S-EPMC3212135 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

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Poly[di-μ-aqua-bis-(μ-2-amino-4-nitro-benzoato)dicaesium].

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20110709 Pt 8

In the structure of title compound, [Cs(2)(C(7)H(5)N(2)O(4))(2)(H(2)O)(2)](n), the asymmetric unit contains two independent Cs atoms comprising different coordination polyhedra. One is nine-coordinate, the other seven-coordinate, both having irregular configurations. The CsO(9) coordination polyhedron comprises O-atom donors from three bridging water mol-ecules, one of which is doubly bridging, three from carboxyl-ate groups, and three from nitro groups, of which two are bidentate chelate bridgi ...[more]

PMID: 22090837

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Poly[bis-(?-2-amino-4-nitro-benzoato)di-?-aqua-dirubidium].

Project description:In the structure of the title salt, [Rb2(C7H5N2O4)2(H2O)2] n , the asymmetric unit comprises two independent and different seven-coordinate Rb(+) cations, one forming an RbO7 polyhedron, the other a RbO6N polyhedron, each of which is considerably distorted. The RbO7 polyhedron comprises bridging O-atom donors from two water mol-ecules, three carboxyl-ate groups, and two nitro groups. The RbO6N polyhedron comprises the two bridging water mol-ecules, one monodentate amine N-atom donor, one carboxyl O-atom donor and three O-atom donors from nitro groups (one from the chelate bridge). The extension of the dinuclear unit gives a three-dimensional polymeric structure which is stabilized by both intra- and inter-molecular amine N-H?O and water O-H?O hydrogen bonds to carboxyl and water O-atom acceptors, as well as a number of inter-ring ?-? inter-actions [minimum centroid-centroid separation = 3.364?(2)?Å]. The title salt is isostructural with the analogous caesium salt.

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Project description:The title compound, [Co2(C7H4NO4)2(C10H8N2)2(H2O)4](C7H4NO4)2, consists of a centrosymmetric bimetallic complex charge-balanced by free 4-nitro-benzoate anions. The CoII ion exhibits a distorted cis-CoN2O4 octa-hedral coordination environment and the Co⋯Co separation is 3.326 (2) Å. In the crystal, the dications and anions are linked by O-H⋯O and C-H⋯O hydrogen bonds.

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Project description:In the title compound, [K2(C7H3Cl2O2)2(H2O)] n , the potassium salt of 2,4-di-chloro-benzoic acid, the repeating unit in the polymeric structure consists of two identical irregular KO6Cl units related by twofold rotational symmetry, linked by a bridging water mol-ecule lying on the twofold axis. The coordination polyhedron about the K(+) ion comprises a carboxyl-ate O atom and a Cl-atom donor from a bidentate chelate ligand inter-action, four O-atom donors from a doubly bridging bidentate carboxyl-ate O,O'-chelate inter-action and the water mol-ecule. A two-dimensional polymeric structure lying parallel to (100) is generated through a series of conjoined cyclic bridges between K(+) ions and is stabilized by water-carboxyl-ate O-H?O hydrogen-bonding inter-actions.

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Poly[μ3-aqua-aqua-μ5-(4-nitro-benzoato)-caesium].

Project description:In the structure of the title complex, [Cs(C7H4NO2)(H2O)2] n , the caesium salt of 4-nitro-benzoic acid, the irregular CsO9 coordination sphere comprises three bridging nitro O-atom donors, a bidentate carboxyl-ate O,O'-chelate inter-action, a triple-bridging water mol-ecule and a monodentate water mol-ecule. A three-dimensional framework polymer is generated, within which there are water-carboxyl-ate O-H⋯O and water-water O-H⋯O hydrogen-bonding inter-actions.

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Crystal structure of trans-di-aqua-bis-(nicotinamide-κN (1))bis-(4-nitro-benzoato-κO)manganese(II).

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catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-?O]manganese(II)]-?-aqua] dihydrate].

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Poly[μ-aqua-di-μ-benzoato-lead(II)].

Project description:The reaction of lead(II) nitrate and benzoic acid in aqueous solution yields the title polymer, [Pb(C(7)H(5)O(2))(2)(H(2)O)](n). The asymmetric unit contains one Pb(II) ion, two benzoate ligands and one water mol-ecule. The Pb-O bond distances are in the range 2.494 (4)-2.735 (4) Å. The Pb⋯Pb distance is 4.0683 (4) Å, indicating an insignificant metal-metal inter-action. The Pb(II) atom has a distorted penta-gonal-bipyramidal geometry chelated by two carboxyl-ate O atoms. The Pb atoms are bridged through a coordinating water mol-ecule and two carboxyl-ate O atoms from another two benzoate ligands, giving an infinite three-dimensional supra-molecular structure. O-H⋯O hydrogen-bonding inter-actions involved the coordinating water and carboxyl-ate O atoms enhance the stability of the supra-molecular arrangement.

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catena-Poly[[bis-(5-chloro-2-nitro-benzoato)copper(II)]-bis-(?-5-chloro-2-nitro-benzoato)].

Project description:In the title compound, [Cu(2)(C(7)H(3)ClNO(4))(4)](n), the coordination geometry around each Cu(II) ion is distorted square-pyramidal. The CuO(5) coordination is formed by five O atoms from the carboxyl-ate groups of five 5-chloro-2-nitro-benzoate ligands. This coordination leads to the formation of centrosymmetric binuclear units which are edge-shared, forming a linear chain along the a axis, with the Cu(II) ions alternately separated by 2.5891?(4) and 3.1763?(4)?Å. The chains are inter-connected into a three-dimensional network by C-H?O inter-actions.

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Project description:In the title complex, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], all four Sn(IV) atoms are five-coordinated with distorted trigonal-bipyramidal SnC(2)O(3) geometries. Two Sn(IV) atoms are coordin-ated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two Sn(IV) atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. In the crystal, mol-ecules are linked into a two-dimensional layer parallel to the ab plane by inter-molecular N-H?O and C-H?O hydrogen bonds and further stabilized by a ?-? inter-action [centroid-centroid distance = 3.6489?(11)?Å]. Intra-molecular N-H?O and C-H?O hydrogen bonds stabilize the mol-ecular structure. Two of the butyl groups are each disordered over two sets of sites with site-occupancy ratios of 0.510?(4):0.490?(4) and 0.860?(5):0.140?(5).

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Bis(?(2)-4-amino-3-nitro-benzoato)bis-(4-amino-3-nitro-benzoato)octa-butyldi-?(3)-oxido-tetra-tin(IV).

Project description:The tetranuclear molecules of the title compound, [Sn(4)(C(4)H(9))(8)(C(7)H(5)N(2)O(4))(4)O(2)], reside on a crystallographic inversion center. Both the two independent Sn atoms are five-coordinate, with distorted trigonal-bipyramidal geometries. One Sn atom is coordinated by two O atoms of the carboxyl-ate anions, one bridging O atom and two butyl groups and the other Sn atom is coordinated by an O atom of the carboxyl-ate anion, two bridging O atoms and two butyl groups. All the butyl groups are equatorial with respect to the SnO(3) trigonal plane. The mol-ecular structure is stabilized by intra-molecular N-H?O hydrogen bonds. In the crystal, pairs of inter-molecular bifurcated acceptor N-H?O and C-H?O hydrogen bonds link the mol-ecules into chains along [10]. Weak inter-molecular C-H?? and ?-? inter-actions [centroid-centroid distance = 3.713?(2)?Å] are also observed.

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