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2-[(E)-2-(4-Hy-droxy-3-meth-oxy-phen-yl)ethen-yl]-1-methylpyridinium 4-bromo-benzene-sulfonate monohydrate.

ABSTRACT: The title salt crystallized as the monohydrate C15H16NO2 (+)·C6H4BrSO3 (-)·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy-droxy and meth-oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth-yl-O-C-C torsion angle = -0.8 (4)°]. In the crystal, the cations and anions are stacked by π-π inter-actions, with centroid-centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions, forming a three-dimensional network.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC3885091 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Methyl-4-[(E)-2-(3-hy-droxy-4-meth-oxy-phen-yl)ethen-yl]pyridinium 4-bromo-benzene-sulfonate monohydrate.

Project description:In the title hydrated salt, C15H16NO2 (+)·C6H4BrO3S(-)·H2O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62?(12)° between the planes of the pyridinium and benzene rings. The meth-oxy substituent deviates slightly from the plane of its attached benzene ring [Cmeth-yl-O-C-C torsion angle = -11.6?(6)°]. In the crystal, the cations, anion and water mol-ecules are linked together into chains along [010] by O-H?O hydrogen bonds and weak C-H?O inter-actions. There is a short Br?O contact [3.029?(2)?Å]. The crystal structure also features C-H?? inter-actions involving the benzene ring of the anion.

| S-EPMC3884297 | biostudies-literature

2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate monohydrate.

Project description:In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(-)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5?(2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (100), with ?-? inter-actions between pyridinium and benzene rings [centroid-centroid distances = 3.651?(3) and 3.613?(3)?Å]. The anions and water mol-ecules are located between the cationic layers. The ions and water mol-ecules are linked into a three-dimensional framework by O-H?O and C-H?O hydrogen bonds.

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4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.

Project description:In the title salt, C(8)H(9)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the dihedral angle between the cation and anion benzene rings is 50.1?(4)°. In the cation, the cyano-methyl group is twisted from the plane of the benzene ring [C-C-C-N = -86?(12)°]. In the crystal, the cations, anions and water mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, forming a chain along the c axis.

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1-Methyl-2-[(E)-2-(2-thien-yl)ethen-yl]quinolinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(16)H(14)NS(+)·C(6)H(4)BrO(3)S(-), the cation exists in an E configuration and is essentially planar, the dihedral angle between the quinolinium and thio-phene rings being 3.45?(9)°. The anion is inclined to the cation with dihedral angles of 75.43?(8) and 72.03?(11)°, respectively between the benzene ring and the quinolinium and thio-phene rings. In the crystal, the cations and anions are arranged individually into separate chains along the c axis. The cation chains are stacked in an anti-parallel manner along the a axis by ??? inter-actions with centroid-centroid distances of 3.7257?(13) and 3.7262?(14)?Å. Weak C-H?O and C-H?? inter-actions link the cations and anions into a three-dimensional network. Short Br?S [3.7224?(5)?Å] and Br?O [3.4267?(16)?Å] contacts are also observed.

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(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

4-Bromo-2-({4-[(hy-droxy-imino)-meth-yl]phen-yl}imino-meth-yl)phenol.

Project description:In the title compound, C(14)H(11)BrN(2)O(2), the mean planes of the two benzene rings are almost parallel to each other, making a dihedral angle of 4.09?(1)°. An intra-molecular O-H?N hydrogen bond occurs. In the crystal, inter-molecular O-H?N and C-H?O hydrogen bonds link the mol-ecules into a chain-like supra-molecular structure.

| S-EPMC3007216 | biostudies-literature

2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(16)H(15)N(2) (+)·C(6)H(4)BrO(3)S(-), the cation exists in the E configuration and is essentially planar with a dihedral angle of 3.10?(5)° between the pyridinium ring and the indole ring system. The ?-conjugated planes of the cation and the anion are inclined to each other at a dihedral angle of 64.32?(4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The anions are linked into a chain along the a axis. The cations and the anions are linked into a three-dimensional network by N-H?O and weak C-H?O hydrogen bonds. The crystal structure is further stabilized by C-H?? inter-actions. A ?-? inter-action between the five-membered heterocyclic ring of the indole system and the pyridinium ring is also observed with a centroid-centroid distance of 3.5855?(7)?Å.

| S-EPMC2977651 | biostudies-literature

2-Amino-4-methyl-pyridinium 3-carb-oxy-4-hy-droxy-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-)·H(2)O, the water mol-ecule acts as an acceptor of bifurcated N-H?O hydrogen bonds from the pyridinium H atom and one H atom of the 2-amino group, forming an R(2) (1)(6) ring. The 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions self-assemble via O-H?O hydrogen bonds, leading to supra-molecular chains along the a axis. These chains and R(2) (1)(6) motifs are linked via O-H?O, N-H?O and C-H?O hydrogen bonds, forming a layer parallel to the ac plane. There is also an intra-molecular O-H?O hydrogen bond in the 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion, generating an S(6) ring motif.

| S-EPMC3007430 | biostudies-literature

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