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6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenol.

ABSTRACT: In the crystal structure, the title Schiff base compound, C(23)H(30)N(2)O(4), exhibits crystallographic twofold rotation symmetry. The imino group is coplanar with the aromatic ring with an N-C-C-C torsion angle of -179.72 (9)°. An intra-molecular O-H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The dihedral angle between symmetry related benzene rings is 28.05 (5)°. The eth-oxy group makes a C-O-C-C torsion angle of -7.20 (16)° with the benzene ring. The crystal structure is stabilized by inter-molecular C-H⋯π inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2969095 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Dioxido{4,4',6,6'-tetrabromo-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}molyb-denum(VI).

Project description:The asymmetric unit of the title compound, [Mo(C(19)H(16)Br(4)N(2)O(2))O(2)], comprises two mol-ecules. The coordination environments around the Mo(VI) atoms are distorted octa-hedral, defined by two oxide ligands and an N(2)O(2) donor set of the tetra-dentate Schiff base in each mol-ecule. The dihedral angles between the benzene rings in the mol-ecules are 76.2?(3) and 77.7?(3)°. An inter-esting feature of the crystal structure is the presence of Br?Br contacts [3.4407?(11), 3.5430?(11) and 3.6492?(10)?Å], which are shorter than the sum of the van der Waals radius of Br atoms (3.70?Å). The crystal structure is further stabilized by inter-molcular C-H?Br and C-H?? inter-actions. The crystal under investigation was twinned by nonmerohedry in a 0.053?(1):0.947?(1) ratio.

| S-EPMC3470169 | biostudies-literature

6,6'-Dimeth-oxy-2,2'-[2,2-dimethyl-propane-1,3-diylbis(nitrilo-methyl-idyne)]diphenol.

Project description:The title Schiff base compound, C(21)H(26)N(2)O(4), exhibits two crystallographically independent mol-ecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are -0.037 (4), 0.013 (4), -0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two mol-ecules are 53.64 (17) and 51.93 (17)°. Strong intra-molecular O-H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethyl-propane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak inter-molecular C-H⋯O hydrogen bonds, weak inter-molecular C-H⋯π inter-actions and π-π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.

| S-EPMC2967940 | biostudies-literature

4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.25-hydrate.

Project description:The title compound, C(34)H(54)N(2)O(2)·0.25H(2)O, the organic mol-ecule, a potential tetra-dentate ligand with a bulky phenolic donor, has overall mirror symmetry. A partially occupied water mol-ecule of solvation is present in the lattice. The six-membered 1,3-diazinane ring displays a chair conformation. An intra-molecular O-H⋯N hydrogen bond ocurs. In the crystal, mol-ecules are linked by O-H⋯O inter-actions.

| S-EPMC3393934 | biostudies-literature

{6,6'-Diethoxy-2,2'-[4,5-dimethyl-o-phenylenebis(nitrilomethylidyne)]di-phenolato}nickel(II) dihydrate.

Project description:In the title complex, [Ni(C(26)H(26)N(2)O(4))]·2H(2)O, the Ni(II) ion, lying on a twofold crystallographic rotation axis, has a square-planar geometry, being coordinated by the N(2)O(2) unit of the tetra-dentate Schiff base ligand. The asymmetric unit of the title compound comprises one-half of the complex mol-ecule and one of the water mol-ecules of crystallization. The water H atoms form bifurcated O-H?(O,O) hydrogen bonds with the O atoms of the phenolato and eth-oxy groups with R(1) (2)(5) and R(1) (2)(6) ring motifs. The dihedral angle between the central benzene ring and the two outer benzene rings are 4.07?(11) and 3.99?(12)°. The dihedral angle between the two O-Ni-N coordination planes is only 0.77?(11)°. In the crystal structure, the mol-ecules are linked together into extended chains along the c axis by inter-molecular O-H?O and C-H?O inter-actions. An inter-esting feature of the crystal structure is a short inter-molecular C ? C [3.355?(3)?Å] contact, which is shorter than the sum of the van der Waals radii. The crystal structure may be further stabilized by inter-molecular ?-? inter-actions [centroid-centroid distances in the range 3.5758?(13)-3.6337?(13)?Å].

| S-EPMC2977562 | biostudies-literature

6,6'-Di-tert-butyl-4,4'-dimeth-oxy-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.19-hydrate.

Project description:In the title hexa-hydro-pyrimidine derivative, C(28)H(42)N(2)O(4)·0.19H(2)O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic mol-ecule and a solvent water mol-ecule with occupany 0.095. The mol-ecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water mol-ecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71?(3)°. Two intra-molecular O-H?N hydrogen bonds with graph-set motif S(6) are present. No remarkable inter-molecular contacts exist in the crystal structure.

| S-EPMC3254529 | biostudies-literature

4,4',6,6'-Tetra-chloro-2,2'-[(1E,1'E)-propane-1,3-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(17)H(14)Cl(4)N(2)O(2), is generated by crystallographic twofold symmetry. The two benzene rings are inclined to one another by 80.17?(10)°. There are two intra-molecular O-H?N hydrogen bonds, which make S(6) ring motifs. In the crystal, mol-ecules are linked by C-H?O and weak C-H?Cl inter-actions, forming a three-dimensional network.

| S-EPMC3414188 | biostudies-literature

6,6'-Dieth-oxy-2,2'-[hexane-1,6-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(24)H(32)N(2)O(4), is a polydentate Schiff base and reveals strong intra-molecular O-H?N hydrogen bonding between the hy-droxy O atom and the imino N atom, with an O?N distance of 2.570?(3)?Å. In the crystal, a centre of inversion is located at the mid-point of the compound. The diimino-hexyl-ene chain is almost ideally in the anti conformation, with an average dihedral angle of 179.0°.

| S-EPMC3099770 | biostudies-literature

4,4'-Dimethyl-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:The imidazolidine ring in the title compound, C(19)H(24)N(2)O(2), adopts a twist conformation and its mean plane (r.m.s. deviation = 0.19?Å) makes dihedral angles of 72.38?(9) and 71.64?(9)° with the two pendant aromatic rings. The dihedral angle between the phenyl rings is 55.94?(8)°. The mol-ecular structure shows the presence of two intra-molecular O-H?N hydrogen bonds between the phenolic hydroxyl groups and N atoms with graph-set motif S(6). In the crystal, C-H?O hydrogen bonds lead to the formation of chains along the b-axis direction.

| S-EPMC3515265 | biostudies-literature

4,4'-Difluoro-2,2'-[imidazolidine-1,3-diylbis(methyl-ene)]diphenol.

Project description:In the title compound, C(17)H(18)F(2)N(2)O(2), the imidazolidine ring system exists in a twist conformation. The mean plane through this ring system forms dihedral angles of 80.8?(8)° and 66.2?(13)°, with the benzene rings. The dihedral angle between the benzene rings is 52.0?(14)°. Two intra-molecular O-H?N hydrogen bonds each generate S(6) ring motifs. In the crystal, weak C-H?O hydrogen bonds form dimers, which are connected by further C-H?O inter-actions.

| S-EPMC3470394 | biostudies-literature

6,6'-Dimethyl-2,2'-[1,3-diazinane-1,3-diyl-bis(methyl-ene)]diphenol.

Project description:In the mol-ecule of the title compound, C(20)H(26)N(2)O(2), the 1,3-diazinane ring adopts a slightly distorted chair conformation and the hy-droxy-benzyl substituents occupy equatorial positions on the N atoms of the heterocyclic ring. There are two intra-molecular O-H?N hydrogen bonds between the N atoms of the 1,3-diazinane ring and the hy-droxy groups of the aromatic rings, with an S(6) set-graph motif. However, the two observed intra-molecular hydrogen-bond distances were different. Considering that both N atoms experience the same chemical environment, it is surprising to see the difference in O?N distances [2.6771?(14) and 2.8123?(12)?Å]. The crystal structure is further stabilized by a C-H?? interaction.

| S-EPMC3295478 | biostudies-literature

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