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Benzoic acid-2,9-dimethyl-phenanthroline (1/1).

ABSTRACT: The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H?N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethyl-phenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56?(7) °]. In the crystal packing, the aggregates are assembled into layers in the bc plane by ??? inter-actions [ring centroid?ring centroid distance = 3.5577?(16)?Å] involving the pyridyl rings, and C-H?? contacts involving the phenanthroline-H atom and the phenyl ring of the acid.

SUBMITTER: Arman HD

PROVIDER: S-EPMC3007214 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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Benzoic acid-2,9-dimethyl-phenanthroline (1/1).

Arman Hadi D HD Kaulgud Trupta T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H⋯N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethyl-phenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) °]. In the crystal packing, the aggregates are assembled into layers in the bc plane by π⋯π inter-actions [ring centroid⋯ring centroid distance = 3.5577 (16) Å] in ...[more]

PMID: 21588407

Similar Datasets

Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(2-hydroxy-benzoato-?O)manganese(II) 2,9-dimethyl-1,10-phenanthroline hemisolvate.

Project description:In the asymmetric unit of the title complex, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·0.5C(14)H(12)N(2), the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule, one water mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted trigonal-bipyramidal geometry. The OH group of the 2-hydroxy-benzoate anion is disordered over two positions with site-occupancy factors of 0.5. The asymmetric unit is completed with by an uncoordinated half-mol-ecule of dmphen, disordered about a crystallographic twofold axis. In the crystal structure, mol-ecules are linked into a two-dimensional framework by O-H?N, O-H?O and C-H?O hydrogen bonds. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027?(3) and 3.6319?(3)?Å.

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(2,9-Dimethyl-1,10-phenanthroline-?N,N')diiodidocadmium.

Project description:In the title compound, [CdI(2)(C(14)H(12)N(2))], the mol-ecule sits on a crystallographic twofold axis. The coordination sphere of the Cd(II) atom is built of two symmetry-equivalent N atoms of one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two symmetry-equivalent I atoms, thus forming a distorted tetra-hedral geometry. Inversion-related mol-ecules inter-act along the c-axis direction by ?-? stacking inter-actions between the phenanthroline ring systems, with centroid-centroid distances of 3.707?(9) and 3.597?(10)?Å.

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Dibromido(2,9-dimethyl-1,10-phenanthroline-?N,N')cadmium.

Project description:In the title complex, [CdBr(2)(C(14)H(12)N(2))], the Cd(II) ion is tetra-coordinated by two N atoms of the bidentate 2,9-dimethyl-1,10-phenanthroline ligand and two bromide ions in a substanti-ally distorted CdN(2)Br(2) tetra-hedral geometry. In the crystal, inversion dimers linked by pairs of weak C-H?Br bonds generate R(2) (2)(14) loops. Aromatic ?-? stacking [shortest centroid-centroid separation = 3.633?(2)?Å] inter-actions occur within, and also link, the dimers into chains propagating parallel to [100].

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Dichlorido(2,9-dimethyl-1,10-phenanthroline)manganese(II) hemihydrate.

Project description:In the title compound, [MnCl(2)(C(14)H(12)N(2))]·0.5H(2)O, all of the non-H atoms apart from the Cl atom lie on a mirror plane and the methyl H atoms are disordered over two sites of equal occupancy about the mirror plane. The Mn(II) ion is coordinated in a distorted tetra-hedral environment by two N atoms of the phenanthroline ligand and two chloride ions. A half-occupancy solvent water mol-ecule lies on a mirror plane and close to an inversion center.

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Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(3-hydroxy-benzoato-?O)manganese(II)-2,9-dimethyl-1,10-phenanthroline-water (1/1/1).

Project description:In the title compound, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·H(2)O, the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two monodentate 3-hydroxy-benzoate anions (3-HBA) and one water mol-ecule in a distorted trigonal-bipyramidal environment. An uncoordinated dmphen and an uncoordinated water mol-ecule cocrystallized with each complex mol-ecule. Intra- and inter-molecular O-H?N and O-H?O hydrogen bonds are also present between the coordinated 3-HBA and water mol-ecules and the uncoordinated dmphen and water mol-ecules in the crystal. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705?(3)?Å.

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2,2'-(Disulfanedi-yl)dibenzoic acid-2,9-dimethyl-phenanthroline-tetra-hydro-furan (1/2/1).

Project description:The asymmetric unit of the title co-crystal solvate, C(14)H(10)O(4)S(2)·2C(14)H(12)N(2)·C(4)H(8)O, comprises a 2,2'-(disulfanedi-yl)dibenzoic acid mol-ecule, two mol-ecules of 2,9-dimethyl-phenanthroline and a tetra-hydro-furan (THF) solvent mol-ecule. Each end of the twisted diacid [dihedral angle between the benzene rings = 74.33 (17)°] forms a strong O-H⋯N hydrogen bond with a 2,9-dimethyl-phenanthroline mol-ecule, forming a trimeric aggregate. The crystal structure comprises layers of acid and THF mol-ecules, and layers of 2,9-dimethyl-phenanthroline mol-ecules that alternate along the a axis, the main connections between them being of the type C-H⋯O.

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Dibromido(2,9-dimethyl-1,10-phenanthroline-?(2)N,N')zinc.

Project description:The reaction of equimolar amounts of zinc bromide and 2,9-dimethyl-1,10-phenanthroline in dry methanol provided the title compound, [ZnBr(2)(C(14)H(12)N(2))], in good yield. The Zn(II) ion is coordinated in a distorted tetra-hedral environment by two N atoms from the chelating 2,9-dimethyl-1,10-phenanthroline ligand and two bromide ions. There is inter-molecular ?-? stacking between adjacent phenanthroline units, with centroid-centroid distances of 3.594?(3) and 3.652?(3)?Å.

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Dichlorido(2,9-dimethyl-1,10-phenanthroline-?N,N')copper(II).

Project description:In the title compound, [CuCl(2)(C(14)H(12)N(2))], the complex molecule has m symmetry, with the mirror plane oriented parallel to the planar molecule and the ligated Cu(II) atom. The metal centre has a distorted tetra-hedral coordination formed by two N atoms from one 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. There is inter-molecular ?-? stacking between adjacent 2,9-dimethyl-1,10-phenanthroline ligands, with a centroid-centroid distance of 3.733?(2)Å.

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Dibromido(2,9-dimethyl-1,10-phenanthroline-κN,N')mercury(II).

Project description:In the mol-ecule of the title compound, [HgBr(2)(C(14)H(12)N(2))], the Hg(II) atom is four-coordinated in a distorted tetra-hedral configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand and by two Br atoms. In the crystal structure, weak inter-molecular C-H⋯Br hydrogen bonds link the mol-ecules into chains along the b axis. There are π-π contacts between the phenanthroline rings [centroid-centroid distances = 3.806 (4), 3.819 (4), 3.739 (3), 3.690 (3), 3.619 (4) and 3.674 (3) Å].

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Dichlorido(2,9-dimethyl-1,10-phenanthroline-κN,N')cobalt(II).

Project description:In the title compound, [CoCl(2)(C(14)H(12)N(2))], the Co(II) atom is four-coordinated in a distorted tetra-hedral geometry by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand and two Cl atoms. The Co atom and the phenanthroline unit are located on a mirror plane. The methyl H atoms are disordered about the mirror plane and areeach half-occupied. In the crystal structure, π-π inter-actions between the pyridine and benzene rings and between the pyridine rings [centroid-centroid distances = 3.8821 (9) and 3.9502 (10) Å, respectively] stabilize the structure.

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