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2,2'-Dimethyl-1,1'-[2,2-bis-(bromo-methyl)propane-1,3-di-yl]dibenzimidazole hemihydrate.

ABSTRACT: The title compound, C(21)H(22)Br(2)N(4)·0.5H(2)O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

SUBMITTER: Wang X

PROVIDER: S-EPMC3297910 | biostudies-literature |

REPOSITORIES: biostudies-literature

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{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)-bis-(nitrilo-methyl-idyne)]-diphenolato}-dioxidomolybdenum(VI).

Project description:In the structure of the title compound, [Mo(C(19)H(20)N(2)O(2))O(2)], the Mo atom exhibits oxidation state +VI and is surrounded by two O atoms and the tetra-dentate Schiff base ligand 2,2'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolate in a distorted octa-hedral configuration. An intra-molecular C-H⋯O hydrogen bond between a methyl-ene group and one O atom of the O=Mo(VI)=O unit, as well as additional inter-molecular hydrogen bonds between neighboring mol-ecules, lead to a weakly bonded inversion-symmetric dimeric structure.

| S-EPMC2961957 | biostudies-literature

{1,1'-[(2,2-Dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]di-2-naphthol-ato}dioxidomolybdenum(VI) dichloro-methane 1.75-solvate.

Project description:In the crystal structure of the title compound, [Mo(C(27)H(24)N(2)O(2))O(2)]·1.75CH(2)Cl(2), the Mo(VI) ion is coordinated by two oxide O atoms and by two O and two N atoms of the tetra-dentate 1,1'-[(2,2-dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]di-2-naphtholate Schiff base ligand in a distorted octa-hedral configuration. The compound crystallizes with 1.75 mol-ecules of dichloro-methane per complex mol-ecule. In the crystal, symmetry-related mol-ecules are linked by a number of C-H⋯O inter-actions involving both the Schiff base ligand and the partly disordered dichloro-methane solvent mol-ecules, leading to the formation of a two-dimensional network extending parallel to (101).

| S-EPMC2969995 | biostudies-literature

3,3'-Dimethyl-1,1'-[(1,3-dihy-droxy-propane-2,2-di-yl)dimethyl-idene]diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The title compound, C(13)H(22)N(4)O(2) (2+)·2PF(6) (-), was prepared by the anion exchange of the dibromide ionic liquid with potassium hexa-fluoro-phosphate. The two imidazole rings are each planar (r.m.s. deviations = 0.0016 and 0.0060?Å) and make a dihedral angle of 45.3?(18)°. Intra-molecular O-H?F hydrogen bonds occur. Inter-molecular C-H?F, O-H?O and C-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3011425 | biostudies-literature

{2,2'-[(2,2-Dimethyl-propane-1,3-di-yl)bis-(nitrilo-methyl-idyne)]diphenolato}palladium(II) ethanol hemisolvate.

Project description:The asymmetric unit of the title complex, [Pd(C(19)H(20)N(2)O(2))]·0.5C(2)H(5)OH, contains two mol-ecules of a Pd(II) complex of a Schiff base ligand with an N(2)O(2) donor set and one ethanol mol-ecule. The Pd(II) centers are in distorted square-planar geometries with the N(2)O(2) donor atoms of the tetra-dentate Schiff base dianions. The ethanol mol-ecule takes part in an O-H⋯O hydrogen bond. In the crystal structure, mol-ecules are stacked approximately along the b-axis direction. The O atom and three H atoms of the solvent molecule are disordered over two positions; the site occupancy factors are ca 0.8 and 0.2.

| S-EPMC2961822 | biostudies-literature

N,N'-Bis(4-bromo-benzyl-idene)-2,2-dimethyl-propane-1,3-diamine.

Project description:The mol-ecule of the title compound, C(19)H(20)Br(2)N(2), is a potential bidentate Schiff base ligand. The two benzene rings are inclined at a dihedral angle of 30.85 (8)°. An inter-esting feature of the crystal structure is a weak inter-molecular Br⋯Br [3.4752 (4) Å] inter-action which is shorter than the sum of the van der Waals radii of the Br atoms and links neighbouring mol-ecules into chains along the c axis. The crystal structure is further stabilized by inter-molecular C-H⋯π inter-actions.

| S-EPMC2968840 | biostudies-literature

Di-?-hydroxido-bis-({2,2'-[propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenolato}iron(III)) dimethyl-formamide disolvate.

Project description:The structure of the title compound, [Fe(2)(C(17)H(16)N(2)O(2))(2)(OH)(2)]·2C(3)H(7)N, consists of centrosymmetric dimeric units in which crystallographically equivalent Fe(III) ions are doubly bridged by hydroxide groups. Each Fe(III) center in the complex has a six-coordinated distorted cis-FeN(2)O(4) octa-hedral geometry.

| S-EPMC2968628 | biostudies-literature

2,2'-Dichloro-1,1'-[(propane-1,3-diyldi-oxy)bis-(nitrilo-methyl-idyne)]dibenzene.

Project description:The title compound, C(17)H(16)Cl(2)N(2)O(2), assumes a V-shape configuration with a dihedral angle between the two halves of the mol-ecule of 79.60 (4)°. The asymmetric unit comprises one half-mol-ecule with a crystallographic twofold rotation axis passing through the central C atom. There are weak inter-molecular π-π stacking inter-actions between neighbouring benzene rings with inter-molecular plane-to-plane distances of 3.277 (6) and 3.465 (5) Å along the a and c axes, respectively. In the crystal structure, weak inter-molecular C-H⋯O bonds link each mol-ecule to four others to form an infinite three-dimensional network.

| S-EPMC2962157 | biostudies-literature

4,4'-[2,2-Dimethyl-propane-1,3-diyl-bis(nitrilo-methyl-idyne)]dibenzonitrile.

Project description:The title compound, C(21)H(20)N(4), is a bidentate Schiff base ligand. An intra-molecular C-H⋯N hydrogen bond forms a five-membered ring, producing an S(5) ring motif. The cyano and imino [-C(H(2))-N=C-] functional groups are coplanar with the benzene ring in each half of the mol-ecule. The packing of the mol-ecules is controlled by C-H⋯π and π-π inter-actions [centroid-to-centroid distance = 3.6944 (8) Å].

| S-EPMC2961864 | biostudies-literature

3,3'-Dimethyl-1,1'-(propane-1,3-di-yl)diimidazol-1-ium bis(hexafluoro-phosphate).

Project description:In the title compound, C(11)H(18)N(4) (2+)·2PF(6) (-), the dihedral angle between the two planar imidozlium rings is 6.1?(2)°. Both [PF(6)](-) anions are disordered [occupancies 0.65?(2):0.35?(2) and 0.59?(5):0.41?(5)]. The crystal packing is stabilized by inter-molecular C-H?F hydrogen bonds which link two mol-ecules, forming centrosymmetric dimers.

| S-EPMC2960103 | biostudies-literature

{1,1'-[2,2-Dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]di-2-naphtholato}nickel(II).

Project description:In the title Schiff base complex, [Ni(C(27)H(24)N(2)O(2))], the Ni(II) atom shows a slightly distorted square-planar geometry. The dihedral angle between the mean planes of the two aromatic rings is 6.16?(6)°. In the crystal, pairs of inter-molecular weak C-H?O hydrogen bonds link neighboring mol-ecules into a chain along the a axis. The crystal structure is further stabilized by two inter-molecular ?-? inter-actions with centroid-centroid distances of 3.7252?(13) and 3.8323?(13)?Å.

| S-EPMC2983828 | biostudies-other

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