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Aqua-(2-hydr-oxy-5-sulfonatobenzoato-?O)bis-(2-phenyl-1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene-?N,N)zinc(II).

ABSTRACT: In the title compound, [Zn(C(7)H(4)O(6)S)(C(19)H(12)N(4))(2)(H(2)O)], the Zn(II) ion is coordinated by two N,N'-bidentate 2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene ligands, one O-monodentate 5-sulfosalicylate dianion and a water mol-ecule. This results in a distorted cis-ZnO(2)N(4) octa-hedral coordination geometry for the metal ion. In the crystal, mol-ecules are expanded into a three-dimensional supra-molecular motif via O-H?O, O-H?N and N-H?(O,S) hydrogen bonds. In addition, ?-? stacking inter-actions between the aromatic rings of the polycyclic ligands consolidate the sturcture [shortest centroid-centroid distance = 3.501?(2)?Å].

SUBMITTER: Han Q

PROVIDER: S-EPMC2971279 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Aqua-(2-hydr-oxy-5-sulfonatobenzoato-κO)bis-(2-phenyl-1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene-κN,N)zinc(II).

Han Qiang Q Wang Xiang-Cheng XC Li Xiu-Ying XY Yao Guan-Xin GX Yan Yong-Sheng YS

Acta crystallographica. Section E, Structure reports online 20091003 Pt 11

In the title compound, [Zn(C(7)H(4)O(6)S)(C(19)H(12)N(4))(2)(H(2)O)], the Zn(II) ion is coordinated by two N,N'-bidentate 2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene ligands, one O-monodentate 5-sulfosalicylate dianion and a water mol-ecule. This results in a distorted cis-ZnO(2)N(4) octa-hedral coordination geometry for the metal ion. In the crystal, mol-ecules are expanded into a three-dimensional supra-molecular motif via O-H⋯O, O-H⋯N and N-H⋯(O,S) hydrogen bonds. In addition, π- ...[more]

PMID: 21578053

Similar Datasets

2-Phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(19)H(12)N(4), with dihedral angles of 2.41 (10) and 10.53 (12)° between the fused ring system and the pendant phenyl ring. In the crystal, mol-ecules are linked into chains by N-H⋯N hydrogen bonds and aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.6176 (16) Å] complete the structure.

| S-EPMC2969696 | biostudies-literature

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Poly[[(μ-benzene-1,4-dicarboxyl-ato)bis-[μ-4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoato]dizinc] tetra-hydrate].

Project description:In the title complex, [Zn(2)(C(8)H(4)O(4))(C(20)H(11)N(4)O(2))(2)]·4H(2)O, the Zn(II) atom is six-coordinated by two carboxyl-ate O atoms from one bidentate benzene-1,4-dicarboxyl-ate (1,4-BDC) ligand, two carboxyl-ate O atoms from two different monodentate 4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoate (HNCP) ligands and two HNCP N atoms. The Zn(II) atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N-H⋯O hydrogen-bonding inter-actions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supra-molecular structure.

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Bis(?-5-carb-oxy-benzene-1,3-dicarboxyl-ato)-?O,O:O;?O:O,O-bis-[(2-phenyl-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene-?N,N)lead(II)].

Project description:In the title compound, [Pb(2)(C(9)H(4)O(6))(2)(C(19)H(12)N(4))(2)], the Pb(II) atom is five-coordinated by two N atoms from a chelating 2-phenyl-1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene (L) ligand and three O atoms from two Hbtc ligands (H(3)btc is benzene-1,3,5-tricarb-oxy-lic acid), resulting in a distorted PbN(2)O(3) coordination. Two Pb(II) atoms are bridged by the Hbtc ligands, forming a discrete centrosymmetric dinuclear complex. Inter-molecular N-H?O and O-H?O hydrogen bonds and ?-? inter-actions between the pyridine and imidazole rings, and between the pyridyl rings of the L ligands [centroid-centroid distances = 3.600?(6) and 3.732?(6)?Å] lead to a three-dimensional supra-molecular structure.

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Bis(?-3,5-dinitro-2-oxidobenzoato)-?O,O:O;?O:O,O-bis[aqua-(2-phenyl-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-?N,N)cobalt(II)].

Project description:In the title compound, [Co(2)(C(7)H(2)N(2)O(7))(2)(C(19)H(12)N(4))(2)(H(2)O)(2)], the Co(II) atom is six-coordinated by two N atoms from a 2-phenyl-1H-1,3,7,8,-tetraaza-cyclo-penta-[l]phenanthrene (L) ligand, three O atoms from two 3,5-dinitro-2-oxidobenzoate (3,5-dinitro-salicylate or DNSA) ligands and one O atom from a water mol-ecule in a distorted octa-hedral geometry. The Co(II) atoms are bridged by two carboxyl-ate O atoms from two DNSA ligands, forming a centrosymmetric dinuclear structure. Neighbouring dinuclear units inter-act with each other through two types of ?-? inter-actions between the L ligands [shortest centroid-centroid distance = 3.646?(3)?Å] and between the L and DNSA ligands [shortest atom-to-centroid distance = 3.794?(3)?Å]. N-H?O, O-H?N and O-H?O hydrogen bonds are observed, which lead to a three-dimensional structure.

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(2S,7S)-10-Ethyl-1,8,10,12-tetra-aza-tetra-cyclo-[8.3.1.1(8,12).0(2,7)]penta-decan-10-ium iodide.

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Poly[di-μ(5)-adipato-κO:O':O'':O''',O'''-μ(4)-adipato-κO:O':O'':O'''-bis-[2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-κN,N]tricobalt(II)].

Project description:In the title polymer, [Co(3)(C(6)H(8)O(4))(3)(C(19)H(12)N(4))(2)](n), two adipate dianions (C(6)H(8)O(4) (2-)) occupy general positions and two are situated on different inversion centres. The two on general positions bind through their four O atoms to five 2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-chelated Co(II) ions, whereas the two on special positions bind to only four. Of the three Co atoms, two are chelated by N-heterocycles; the third is bonded to six O atoms. The bonding mode of the dianion gives rise to a three-dimensional network structure; the network is further consolidated by N-H⋯O hydrogen bonds.

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17-(5-Ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta[a]phenanthrene-3,7-diol from Chisocheton tomentosus (Meliaceae).

Project description:The asymmetric unit of the title compound, C(29)H(50)O(2), contains two mol-ecules; one mol-ecule is linked to the other by two O-H⋯O hydrogen bonds, whereas only one of the hydr-oxy groups of the second mol-ecule is involved in hydrogen bonding. This gives rise to a chain that runs along the a axis of the monoclinic unit cell.

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Tetra-kis(1,3,4,6,7,9-hexa-aza-1H-phen-alen-6-ium) sodium(I) penta-kis(tetra-fluorido-borate).

Project description:In the title compound, Na(+)·4C(7)H(5)N(6) (+)·5BF(4) (-), the Na(+) ion lies on a fourfold rotation axis and one of the tetra-fluoridoborate ions lies on a site of symmetry . Each Na(+) ion is surrounded by four symmetry-related tetra-fluoridoborate ions, and is eight-coordinated by F atoms, the Na?F separation being 2.3956?(15) or 2.4347?(17)?Å. The hexa-azaphenalenium ring system is essentially planar. In the crystal structure, the cations and anions are linked into a three-dimensional network by N-H?N and C-H?F hydrogen bonds.

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Crystal structures of trans-di-aqua-(3-R-1,3,5,8,12-penta-aza-cyclo-tetra-deca-ne)copper(II) isophthalate hydrates (R = benzyl or pyridin-3-ylmethyl).

Project description:The asymmetric units of the title compounds, trans-di-aqua-(3-benzyl-1,3,5,8,12-penta-aza-cyclo-tetra-decane-?4 N 1,N 5,N 8,N 12)copper(II) isophthalate monohydrate, [Cu(C16H29N5)(H2O)2](C8H4O4)·H2O, (I), and trans-di-aqua-[3-(pyridin-3-ylmeth-yl)-1,3,5,8,12-penta-aza-cyclo-tetra-decane-?4 N 1,N 5,N 8,N 12]copper(II) iso-phthalate 0.9-hydrate, [Cu(C15H28N6)(H2O)2](C8H4O4)·0.9H2O, (II) consist of one di-aqua macrocyclic cation, one di-carboxyl-ate anion and uncoordinated water mol-ecule(s). In each compound, the metal ion is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually trans O atoms of the water mol-ecules in a tetra-gonally distorted octa-hedral geometry. The average equatorial Cu-N bond lengths are significantly shorter than the average axial Cu-O bond lengths [2.020?(9) versus 2.495?(12)?Å and 2.015?(4) versus 2.507?(7)?Å for (I) and (II), respectively]. The coordinated macrocyclic ligand in the cations of both compounds adopts the most energetically favorable trans-III conformation. In the crystals, the complex cations and counter-anions are connected via hydrogen-bonding inter-actions between the N-H groups of the macrocycles and the O-H groups of coordinated water mol-ecules as the proton donors and the O atoms of the carboxyl-ate as the proton acceptors. Additionally, as a result of O-H?O hydrogen bonding with the coordinated and water mol-ecules of crystallization, the isophthalate dianions form layers lying parallel to the (01) and (100) planes in (I) and (II), respectively.

| S-EPMC6659336 | biostudies-literature

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