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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 molecules in the asymmetric unit of the title compound, C(19)H(12)N(4). One is almost planar [dihedral angle between the fused-ring system and the phenyl ring = 2.16?(13)°] and one is somewhat twisted [dihedral angle = 13.30?(14)°]. In the crystal, the molecules are linked by N-H?N hydrogen bonds to result in chains.

| S-EPMC2959488 | biostudies-literature

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 ?-? stacking inter-actions [shortest centroid-centroid distance = 3.6176?(16)?Å] complete the structure.

| S-EPMC2969696 | biostudies-literature

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.

| S-EPMC3011518 | biostudies-literature

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.

| S-EPMC3246926 | biostudies-literature

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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2,10-Dihydr-oxy-13-methyl-13-aza-tetra-cyclo-[9.3.1.0.0]penta-deca-3(8),4,6-triene-9,15-dione.

Project description:In the title compound, C(15)H(15)NO(4), the n-methyl-piperidone ring adopts a chair conformation and both five-membered rings adopt a twist conformation. An intra-molecular O-H?O hydrogen bond is observed. Inversion-related mol-ecules are linked into R(2) (2)(10) dimers by pairs of O-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?O hydrogen bonds.

| S-EPMC2969762 | biostudies-literature

Ethyl 3-hydr-oxy-13-methyl-4'-phenyl-2'-(3,4,5-trimethoxy-phen-yl)-6,7,8,9,11,12,13,14,15,16-deca-hydro-spiro-[cyclo-penta-[a]phenanthrene-16,3'-pyrrolidine]-5'-carboxyl-ate.

Project description:In the title compound, C(39)H(45)NO(7),the pyrrolidine ring is connected to an estrone group, a trimeth-oxy benzene and a phenyl ring. The pyrrolidine ring exhibits a twist conformation and the other five-membered ring an envelope conformation. Mol-ecules are linked by N-H?O hydrogen bonds, C-H?? inter-actions and C-H?O hydrogen bonds.

| S-EPMC2959683 | biostudies-literature

(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.

Project description:The title chiral quaternary ammonium salt, C(13)H(25)N(4) (+)·I(-), was synthesized through the Menschutkin reaction between the cage aminal (2S,7S)-1,8,10,12-tetra-aza-tetra-cyclo-[8.3.1.1(8,12).0(2,7)]penta-decane and ethyl iodide. The quaternization occurred regioselectively on the nitrogen with major sp3 character. The crystal structure consists of anions and cations separated by normal distances. Ions are not linked through C-H?I hydrogen bonds.

| S-EPMC3470393 | biostudies-literature

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

10-Hydr-oxy-2-aza-penta-cyclo-[10.8.0.0.0.0]icosa-1(12),4(9),5,7,13,15(20),16,18-octa-ene-3,11-dione.

Project description:In the title compound, C(19)H(11)NO(3), the isoindolinone ring system is approximately planar with a maximum atomic deviation of 0.071?(1)?Å and the five-membered ring of the dihydro-benzo[g]indol-3-one unit assumes an envelope conformation. The naphthalene ring system makes a dihedral angle of 39.47?(4)° with the mean plane of the isoindolinone system. Inter-molecular O-H?O and C-H?O hydrogen bonding helps to stabilize the crystal structure.

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