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2-[(2-Hy-droxy-4-meth-oxy-benzyl-idene)aza-nium-yl]benzoate monohydrate.

ABSTRACT: In the title compound, C(15)H(13)NO(4)·H(2)O, the Schiff base exists in a zwitterionic form and a bifurcated intra-molecular N-H⋯(O,O) hydrogen bond generates two S(6) rings. The dihedral angle between the two benzene rings is 25.8 (2)°. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds.

SUBMITTER: Hang ZX

PROVIDER: S-EPMC3006953 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Hy-droxy-5-{[(E)-4-meth-oxy-benzyl-idene]aza-nium-yl}benzoate.

Project description:In the title zwitterion, C(15)H(13)NO(4), obtained from the condensation of 5-amino-salicylic acid and 4-meth-oxy-benz-alde-hyde, the 4-hydoxyanilinic group of the 5-amino-salicylic acid moiety and the 4-meth-oxy-benzaldehyde moiety are twisted with respect to one another, making a dihedral angle of 10.37 (7)°. The carboxyl-ate group makes a dihedral angle of 5.7 (2)° with the parent 4-hydoxyanilinic group. An intra-molecular O-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, inter-molecular C-H⋯O and N-H⋯O hydrogen bonds with R(2) (1)(7) ring motifs link the mol-ecules into infinite chains extending along the c axis. The occurence of slipped π-π stacking between symmetry-related aromatic rings reinforces the packing.

| S-EPMC2983260 | biostudies-literature

Crystal structure of (E)-2-[(4-hy-droxy-benzyl-idene)aza-nium-yl]benzoate.

Project description:The title Schiff base, C14H11NO3, crystallizes as a zwitterion (i.e. proton transfer from the carb-oxy-lic acid group to the imine N atom). The dihedral angle between the aromatic rings is 19.59 (6)° and an intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (4)(24) loops. The dimers are linked by C-H⋯O inter-actions, generating (211) sheets.

| S-EPMC4186171 | biostudies-literature

(E)-N'-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-2-hy-droxy-benzohydrazide monohydrate.

Project description:The organic molecule of the title hydrate, C(15)H(13)BrN(2)O(4)·H(2)O, is roughly planar, with a mean deviation of 0.0939?(2)?Å. The dihedral angle between the two aromatic rings is 8.2?(3)°. Intra-molecular O-H?N and O-H?O hydrogen bonds are observed. In the crystal, N-H?O(water) and O(water)-H?O hydrogen bonds lead to a three-dimensional network.

| S-EPMC3393308 | biostudies-literature

(2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate.

Project description:The title compound, (C(8)H(12)NO)(C(16)H(18)NO(2))[ZnCl(4)]·H(2)O, was obtained as a by-product of the Zn(2+) and HCl catalyzed condensation of (2-meth-oxy-phen-yl)methanamine in water. Both cations feature an intra-molecular N-H?O hydrogen bond. In the crystal, the components are linked by an extensive three-dimensional network of N-H?O, O-H?Cl and N-H?Cl hydrogen bonds (three of them bifurcated). Weak C-H?O intera-ctions also occur.

| S-EPMC3006710 | biostudies-literature

(E)-4-Amino-N'-(2-hy-droxy-5-meth-oxy-benzyl-idene)benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(15)N(3)O(3)·H(2)O, the hydazide Schiff base mol-ecule shows an E conformation around the C=N bond. An intra-molecular O-H?N hydrogen bond makes an S(6) ring motif. The dihedral angle between the substituted phenyl rings is 23.40?(11)°. The water mol-ecule mediates linking of neighbouring mol-ecules through O-H?(O,O) hydrogen bonds into infinite chains along the a axis, which are further connected together through N-H?O hydrogen bonds, forming a two-dimensional network parallel to (001). C-H?O inter-actions aso occur.

| S-EPMC3414187 | biostudies-literature

(E)-4-Bromo-N'-(4-hy-droxy-3-meth-oxy-benzyl-idene)benzohydrazide monohydrate.

Project description:In the title compound, C(15)H(13)BrN(2)O(3)·H(2)O, the dihedral angle between the two benzene rings is 13.92?(6)°. The meth-oxy group of the 4-hy-droxy-3-meth-oxy-phenyl is almost coplanar with its bound benzene ring, as seen by the C(meth-yl)-O-C-C torsion angle of -0.35?(16)°. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?O, O-H?N and O-H?O hydrogen bonds and also weak C-H?O inter-actions. A short C?O contact of 3.0191?(15)?Å is also present.

| S-EPMC3344027 | biostudies-literature

N'-[(E)-5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene]benzohydrazide monohydrate.

Project description:The title compound, C15H13BrN2O3·H2O, exists in an E conformation with respect to the azo-methane C=N double bond. The benzene and phenyl rings form dihedral angles of 0.46?(2) and 4.90?(3)°, respectively with the central C(=O)N2C unit. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, some hydrazide mol-ecules are replaced by mol-ecules of the 6-bromo isomer. The Br atom from this admixture was refined to give a partial occupancy of 0.0443?(19). A supra-molecular network is built in the lattice by means of inter-molecular N-H?O and two O-H?O inter-actions together with non-classical C-H?O inter-actions involving the lattice water mol-ecule stacking the mol-ecules along the b-axis direction.

| S-EPMC3885046 | biostudies-literature

N'-[(E)-2-Hy-droxy-5-meth-oxy-benzyl-idene]pyridine-4-carbohydrazide monohydrate.

Project description:The title compound, C14H13N3O3·H2O, adopts an E conformation with respect to the azomethine bond and crystallizes in the amide form. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, the lattice water molecule plays a major role in the supramolecular architecture by interconnecting adjacent molecules into a three-dimensional netwrok by means of O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions. The structure also features two non-classical C-H⋯O inter-actions.

| S-EPMC3685038 | biostudies-literature

<i>N</i>'-(2-Hy-droxy-3-meth-oxy-benzyl-idene)pyrazine-2-carbohydrazide monohydrate.

Project description:In the title hydrated Schiff base, C13H12N4O3·H2O, the dihedral angle between the aromatic rings is 5.06 (11)° and an intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, Ow-H⋯O and Ow-H⋯N (w = water) hydrogen bonds link the components into centrosymmetric tetra-mers (two Schiff bases and two water mol-ecules). Longer N-H⋯O hydrogen bonds link the tetra-mers into [010] chains. A weak C-H⋯O hydrogen bond and aromatic π-π stacking between the pyrazine and phenyl rings [centroid-centroid separations = 3.604 (2) and 3.715 (2) Å] are also observed.

| S-EPMC9462138 | biostudies-literature

(E)-4-Hy-droxy-N'-(3-hy-droxy-4-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title benzohydrazide derivative, C(15)H(14)N(2)O(4), exists in a trans conformation with respect to the C=N double bond and is twisted, the dihedral angle between the two benzene rings being 24.17?(6)°. The meth-oxy group is almost co-planar with respect to the attached benzene ring [C(m)-O-C-C (m = meth-yl) = -1.45?(17)°]. In the crystal, the mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into sheets parallel to the bc plane. These sheets are further connected into a three-dimensional network by weak C-H?O and C-H?? inter-actions.

| S-EPMC3201407 | biostudies-literature

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