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Hydrogen bis-[2-(4-ammonio-phen-oxy)acetate] triiodide.

ABSTRACT: In the title compound, C(16)H(19)N(2)O(6) (+)·I(3) (-), the carboxyl-ate groups of a pair of (4-amino-phen-oxy) acetate ligands are bridged by an H atom in a rather classical configuration. The H atom is located on an inversion center and the pair of carboxyl-ate groups are centrosymmetrically related with an O⋯O distance of 2.494 (5) Å. The I(3) (-) anion is also located on an inversion center. In the crystal, N-H⋯O and N-H⋯I hydrogen-bond inter-actions build up a three-dimensionnal network.

SUBMITTER: Wang WX

PROVIDER: S-EPMC3006981 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of potassium hydrogen bis-((<i>E</i>)-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetate).

Project description:The synthesis and spectroscopic data of (E)-2-{4-[3-(thio-phen-3-yl)acrylo-yl]phen-oxy}acetic acid are described. Crystallization from an ethanol-water mixture resulted in the title compound, C30H23KO8S2 or [K(C15H11O4S)(C15H12O4S)] n , containing one mol-ecule of the acid and one mol-ecule of the potassium salt in the asymmetric unit. Both mol-ecules share the H atom between their carboxyl groups and a potassium ion. The C=C bonds display an E configuration. The thio-phene and phenyl rings in the two mol-ecules are inclined by 43.3 (2) and 22.7 (2)°. The potassium ion is octa-hedrally coordinated by six O atoms. This distorted octa-hedron shares on opposite sides two oxygen atoms with inversion-related octa-hedra, resulting in chains of octa-hedra running in the [010] direction, which form ladder-like chains by C-H⋯π inter-actions. A Hirshfeld surface analysis indicates that the highest contributions to the surface contacts arise from inter-actions in which H atoms are involved, with the most important contribution being from H⋯H (31.6 and 31.9% for the two mol-ecules) inter-actions.

| S-EPMC8183452 | biostudies-literature

Ethyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(10)H(11)NO(5), the methyl C atom deviates by 0.830?(6)?Å from the mean plane of the remaining non-H atoms. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into layers parallel to the bc plane.

| S-EPMC3344636 | biostudies-literature

4,5-Bis(4-meth-oxy-phen-oxy)phthalonitrile.

Project description:The title compound, C(22)H(16)N(2)O(4), was obtained unintentionally as the product of an attempted synthesis of a new phthalocyanine. The dihedral angles formed by the central benzene ring with the aromatic rings of the meth-oxy-phen-oxy groups are 85.39?(5) and 64.19?(5)°.

| S-EPMC2983375 | biostudies-literature

1,2-Bis(4-meth-oxy-phen-oxy)ethane.

Project description:The whole mol-ecule of the title compound, C16H18O4, is generated by twofold rotational symmetry; the twofold axis bis-ects the central C-C bond. The O-C-C-O torsion angle about the central C-C bond is 69.45?(16)°. Symmetry-related benzene rings are inclined to one another by 64.91?(8)°. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3629599 | biostudies-literature

Bis[?-4-(4-carb-oxy-phen-oxy)phthalato]bis-[triaqua-cobalt(II)].

Project description:The dinuclear title complex, [Co(2)(C(15)H(8)O(7))(2)(H(2)O)(6)], lies across an inversion center. The unique Co(II) ion is coordinated in a slightly distorted octa-hedral coordination geometry by two O atoms from a chelating 4-(carb-oxy-phen-oxy)phthalate ligand, three water O atoms and a further O atom from a bridging carboxyl-ate group of a symmetry-related 4-(carb-oxy-phen-oxy)phthalate ligand. In the crystal, O-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3569198 | biostudies-literature

Bis[?-4-(4-carb-oxy-phen-oxy)phthalato]bis-[triaqua-nickel(II)].

Project description:In the centrosymmetric binuclear title compound, [Ni(2)(C(15)H(8)O(7))(2)(H(2)O)(6)], the Ni(II) ion is in a distorted octa-hedral coordination geometry with O(6) donors, three from three water mol-ecules, the others from three carboxylate groups of two ligands. Extensive O-H?O hydrogen bonding connects the mol-ecules into a three-dimensional supra-molecular structure.

| S-EPMC3050356 | biostudies-literature

1,3-Bis(2,6-diisopropyl-phen-yl)-4,5-dihydro-1H-imidazol-3-ium triiodide.

Project description:In the crystal structure of the title compound, C(27)H(39)N(2) (+)·I(3) (-), the imidazolidinium ring is perpendicular to a mirror plane which bis-ects the cation. The dihedral angle between the imidazolidinium ring and the benzene ring is 89.0?(2)°. The triiodide anion also lies on a mirror plane and is almost linear with an I-I-I bond angle of 178.309?(18)°.

| S-EPMC3011707 | biostudies-literature

Benzimidazolium 2-(2,4-dichloro-phen-oxy)acetate monohydrate.

Project description:In the crystal of the title hydrated mol-ecular salt, C(7)H(7)N(2) (+)·C(8)H(5)Cl(2)O(3)·H(2)O, the components inter-act by way of N-H?O and O-H?O hydrogen bonds, leading to chains propagating in [100].

| S-EPMC2972003 | biostudies-literature

Ammonium 2-(2,4-dichloro-phen-oxy)acetate hemihydrate.

Project description:The title compound, NH(4) (+)·C(8)H(7)Cl(2)O(6) (-)·0.5H(2)O, was prepared by the reaction of 2-(2,4-dichloro-phen-oxy)-acetic acid and ammonia in water at 367?K. The mol-ecular structure and packing are stabilized by N-H?O and O-H?O inter-molecular hydrogen-bond inter-actions.

| S-EPMC2977423 | biostudies-literature

tert-Butyl 2-(4-nitro-phen-oxy)acetate.

Project description:In the title mol-ecule, C(12)H(15)NO(5), the nitro-phen-oxy portion is approximately planar (r.m.s. deviation = 0.034?Å) and makes an angle of 84.8?(1)° with respect to the -CH(2)-C(=O)-O-C fragment. In the crystal, ?-? stacking is observed between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.6806?(10)?Å. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3051522 | biostudies-literature

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