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5,5'-Seleno-bis-(2-hy-droxy-benzaldehyde).

ABSTRACT: In the title mol-ecule, C(14)H(10)O(4)Se, the dihedral angle between the two benzene rings is 74.6?(1)°. Both hy-droxy-benzaldehyde groups form intra-molecular O-H?O hydrogen bonds. In the crystal, pairs of mol-ecules are linked by pairs of weak C-H??(arene) inter-actions, forming centrosymmetric dimers. In addition, mol-ecules are linked by ?-? stacking inter-actions, with a centroid-centroid distance of 3.785?(2)?Å, forming chains along the c axis.

SUBMITTER: Wu MH

PROVIDER: S-EPMC3247385 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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5,5'-Seleno-bis-(2-hy-droxy-benzaldehyde).

Wu Ming-Hu MH Liu Wen-Ju WJ

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

In the title mol-ecule, C(14)H(10)O(4)Se, the dihedral angle between the two benzene rings is 74.6 (1)°. Both hy-droxy-benzaldehyde groups form intra-molecular O-H⋯O hydrogen bonds. In the crystal, pairs of mol-ecules are linked by pairs of weak C-H⋯π(arene) inter-actions, forming centrosymmetric dimers. In addition, mol-ecules are linked by π-π stacking inter-actions, with a centroid-centroid distance of 3.785 (2) Å, forming chains along the c axis. ...[more]

PMID: 22220003

Similar Datasets

Synthesis and crystal structures of 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-benzaldehyde) and 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-isophthalaldehyde).

Project description:The title compounds 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-benzaldehyde), C17H16O4, (1), and 5,5'-(propane-2,2-di-yl)bis-(2-hy-droxy-isophthalaldehyde), C19H16O6, (2), crystallize with one mol-ecule in the asymmetric unit. In mol-ecule (1), a >C(CH3)2 group bridges two nearly planar salicyl-aldehyde groups [r.m.s deviations = 0.010 (1) and 0.025 (2) Å], each comprising a planar phenyl ring bonded with a hydroxyl and an aldehyde group. Similarly, compound (2) has the same bridging group, but it connects two nearly planar appendants [r.m.s deviations = 0.034 (1) and 0.035 (1) Å], each comprising a phenyl ring bonded with a hydroxyl and two aldehyde groups. Mol-ecule (1) exhibits a bridge angle of 109.5 (2)° with the salicyl-aldehyde planes subtending a dihedral angle of 88.4 (1)°. In contrast, mol-ecule (2) presents a bridge angle of 108.9 (2)° with its appendants subtending a dihedral angle of 79.6 (3)°. Both mol-ecules exhibit two intra-molecular O-H⋯O hydrogen bonds involving the phenolic H atoms and carboxyl O-atom acceptors. In the crystal of (2), O-H⋯O hydrogen bonds between one of the hydroxyl H atoms and a carboxyl O atom from a symmetry-related mol-ecule form a chain along [10]. In addition, (2) exhibits a strong visible luminescence when excited with ultraviolet radiation.

| S-EPMC6281094 | biostudies-literature

3-Bromo-2-hy-droxy-benzaldehyde.

Project description:The mol-ecule of the title compound, C(7)H(5)BrO(2), is almost planar (r.m.s. deviation from the plane of all the non-H atoms = 0.0271 Å) and displays intra-molecular O-H⋯O hydrogen bonding between the phenol group and the aldehyde O atom. Packing is directed by weak inter-molecular C-H⋯Br inter-actions and π-stacking between nearly parallel mol-ecules [dihedral angle = 5.30 (6)° and centroid-centroid distance = 3.752 (1) Å].

| S-EPMC3414939 | biostudies-literature

2-Hy-droxy-3-nitro-benzaldehyde.

Project description:The title compound, C(7)H(5)NO(4), isolated from the leaves of Actephila merrilliana, is essentially planar (r.m.s. deviation = 0.026 Å). The conformation is supported by an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring. In the crystal, C-H⋯O inter-actions and aromatic π-π stacking [centroid-centroid distance = 3.754 (4) Å] help to establish the packing.

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5-Bromo-2-hy-droxy-benzaldehyde thio-semicarbazone.

Project description:The mol-ecule of the title compound, C(8)H(8)BrN(3)OS, is close to being planar, with maximum deviations of -0.127?(3) and 0.135?(5)?Å for the N atoms of the -NH- and NH(2)- groups, respectively. Intra-molecular N-H?N and O-H?N hydrogen bonds to the same acceptor N atom generate S(5) and S(6) ring motifs. In the crystal structure, mol-ecules are connected into [010] chains by pairs of N-H?S hydrogen bonds with R(2) (2)(8) graph-set motifs. The crystal used for data collection was found to be an inversion twin.

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3-Chloro-meth-yl-2-hy-droxy-benzaldehyde.

Project description:In the title compound, C(8)H(7)ClO(2), the hydroxyl and aldehyde groups are co-planar with the benzene ring [maximum deviation 0.018?(3)?Å], and the Cl-C-C plane is almost perpendicular to the benzene ring [dihedral angle 83.7?(2)°]. An intra-molecular O-H?O hydrogen bond occurs between the hydroxyl and aldehyde groups.

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Dimethyl 5,5'-methyl-enebis(2-hy-droxy-benzoate).

Project description:In the title compound, C(17)H(16)O(6), the two methyl salicylate moieties are related by crystallographic twofold rotational symmetry with the two benzene rings close to being perpendicular [inter-ring dihedral angle = 86.6 (8)°]. Intra-molecular phenolic O-H⋯O hydrogen bonds with carboxyl O-atom acceptors are present, with these groups also involved in centrosymmetric cyclic inter-molecular O-H⋯O hydrogen-bonding associations [graph set R(2) (2)(4)], giving infinite chains extending across (101).

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4-Hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone.

Project description:In the title compound, C9H11N3S, there is an intra-molecular O-H⋯O hydrogen bond involving the OH group and the adjacent methoxy O atom. The mol-ecule is essentially planar, with the maximum deviation from the mean plane of the non-H atoms being 0.1127 (14) Å for the methyl C atom. In the crystal, mol-ecules are connected via centrosymmetric pairs of N-H⋯S and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (10-3).

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2-Hy-droxy-4-meth-oxy-benzaldehyde thio-semicarbazone.

Project description:The title Schiff base compound, C(9)H(11)N(3)O(2)S, was prepared by the reaction of equimolar quanti-ties of 2-hy-droxy-4-meth-oxy-benzaldehyde with thio-semicarbazide in methanol. The mol-ecule adopts a trans configuration with respect to the azo-methine group and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O and N-H⋯S hydrogen bonds, forming a three-dimensional network.

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2,2'-[(3-Bromo-4-hy-droxy-5-meth-oxy-phen-yl)methyl-idene]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).

Project description:In the title compound, C(24)H(29)BrO(6), the dihedral angle between the cyclo-hexenone mean planes is 57.63?(2)° while the dihedral angles between the benzene ring and the cyclo-hexenone mean planes are 58.42?(2) and 69.08?(3)°. The two cyclo-hexenone rings both show an envelope conformation, with the C atom bearing two methyl groups as the flap atom in each ring. Two intra-molecular O-H?O hydrogen bonds occur. In the crystal, molecules are linked via pairs of O-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC3470230 | biostudies-literature

Bis(4-hy-droxy-3-meth-oxy-benzaldehyde 4-phenyl-thio-semicarbazonato-N (1),S)nickel(II).

Project description:In the title compound, [Ni(C15H14N3O2S)2], the Ni(II) atom lies on a center of symmetry. The deprotonated ligands act as N,S-donors, forming five-membered metalla-rings. The Ni(II) atom is four-coordinated in a slightly distorted square-planar environment. In the crystal, the discrete complex mol-ecules are linked by weak N-H?O hydrogen bonds, generating chains along [110]. The chains are further connected via weak O-H?N inter-actions into a layered network extending parallel to (001).

| S-EPMC4011249 | biostudies-literature

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