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5-Amino-2,4,6-triiodo-isophthalic acid monohydrate.

ABSTRACT: The title compound, C(8)H(4)I(3)NO(4)·H(2)O, shows an extensive hydrogen-bond network; in the crystal structure, mol-ecules are linked by O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds involving all possible donors and also the water mol-ecule.

SUBMITTER: Beck T

PROVIDER: S-EPMC2961876 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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5-Amino-2,4,6-triiodo-isophthalic acid monohydrate.

Beck Tobias T Sheldrick George M GM

Acta crystallographica. Section E, Structure reports online 20080619 Pt 7

The title compound, C(8)H(4)I(3)NO(4)·H(2)O, shows an extensive hydrogen-bond network; in the crystal structure, mol-ecules are linked by O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonds involving all possible donors and also the water mol-ecule. ...[more]

PMID: 21202917

Similar Datasets

4-(4-Pyrid-yl)pyridinium 3-amino-5-carb-oxy-2,4,6-triiodo-benzoate-5-amino-2,4,6-triiodo-isophthalic acid (1/1).

Project description:In the title ammonium carboxyl-ate-carb-oxy-lic acid co-cystal, C(10)H(9)N(2) (+)·C(8)H(3)I(3)NO(4) (-.)C(8)H(4)I(3)NO(4), the carboxyl-ate anion and carb-oxy-lic acid mol-ecule are linked by O-H⋯O and N-H⋯O hydrogen bonds to form a chain running along the c axis of the monoclinic unit cell. The chains are linked by pyridinum and pyridine N-H⋯O hydrogen bonds, generating a layer motif. O-H⋯N and O-H⋯O hydrogen bonds are also observed.

| S-EPMC3011675 | biostudies-literature

5-Amino-2,4,6-triiodo-isophthalic acid-4,4'-bipyridine N,N'-dioxide-water (1/1/1).

Project description:The aromatic rings of the N,N'-dioxide molecule in the title compound, C(8)H(4)NI(3)O(4)·C(10)H(8)N(2)O(2)·H(2)O, are twisted by 14.0 (2)°. The -CO(2)H substituents of the 5-amino-2,4,6-triiodo-isophthalic acid are twisted by 83.0 (2) and 86.5 (2)° out of the plane of the aromatic ring. In the crystal, the three components are linked by O-H⋯O hydrogen bonds into a three-dimensional network. An N-H⋯O inter-action also occurs. One of the amino H atom is not involved in hydrogen bonding.

| S-EPMC3099751 | biostudies-literature

Diethyl 5-amino-2,4,6-triiodo-isophthalate.

Project description:The title compound, C(12)H(12)I(3)NO(4), crystallizes with two mol-ecules in an asymmetric unit. In one of the mol-ecules, the conformation of the O-C-O-C in one ester group is cis and trans in the other. The corresponding conformations for both the ester groups in the other mol-ecule are trans. The I atoms and the benzene rings in the two mol-ecules are approximately coplanar, the I atoms deviating by 0.219 (14), 0.056 (15) and -0.143 (14) Å from the mean plane of the benzene ring in one mol-ecule and 0.189 (14), -0.162 (15) and -0.068 (14) Å in the other. The planes of the ester groups are almost orthogonal to those of the benzene rings in both mol-ecules, forming dihedral angles of 88.1 (4), 72.2 (4), 73.0 (4) and 86.6 (4)°. The mean planes of the benzene rings in the two mol-ecules are inclined at 74.6 (4)° with respect to each other. In the crystal, inter-molecular I⋯O inter-actions [3.138 (7) and 3.144 (7) Å] link the mol-ecules into infinite chains along the a axis. In addition, non-classical C-H⋯O hydrogen bonds are observed.

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Dimethyl 5-amino-2,4,6-triiodo-isophthalate.

Project description:The title compound, C(10)H(8)I(3)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The I atoms and the benzene ring plane in the two mol-ecules are approximately coplanar, the I atoms deviating by -0.1631 (1), 0.0704 (1) and -0.0507 (1) Å from the mean plane of the benzene ring in one mol-ecule and by 0.1500 (1), -0.0034 (1) and -0.1213 (1) Å in the other. The planes of the ester groups are almost orthogonal to those of the benzene rings in both mol-ecules, forming dihedral angles of 83.5 (3), 76.4 (3), 97.3 (1) and 75.7 (1)°. The mean planes of the benzene rings in two mol-ecules are inclined at 69.8 (3)° with respect to each other. In the crystal, inter-molecular I⋯O inter-actions link the mol-ecules into infinite chains. In addition, N-H⋯O and non-classical C-H⋯O hydrogen bonds are observed.

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4,6-Dibromo-isophthalic acid monohydrate.

Project description:In the crystal structure of the title hydrate, C(8)H(4)Br(2)O(4)·H(2)O, O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10-2). The acid groups of the main mol-ecule and the water mol-ecule are all involved in the supra-molecular structure. The dihedral angles between the benzene ring and the acid groups are 37.8 (4) and 36.4 (5)°, while the dihedral angle between the acid groups is 10.9 (4)°.

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catena-Poly[[dipyridine-cadmium(II)]-μ-5-amino-2,4,6-triiodo-isophthalato].

Project description:The hydro-thermal reaction of cadmium(II) nitrate with 5-amino-2,4,6-triiodo-isophthalic acid and pyridine in DMF solution leads to the formation of the title compound, [Cd(C(8)H(2)I(3)NO(4))(C(5)H(5)N)(2)](n). The structure contains a four-coordinate Cd(2+ )ion in a distorted tetra-hedral geometry, which lies on a crystallographic twofold rotation axis. The Cd(2+ )ion is bonded to two N atoms from two pyridine ligands and two carboxyl-ate O atoms from two 5-amino-2,4,6-triiodo-isophthalate anions. The Cd-O distances are 2.429 (5) and 2.305 (5) Å and the Cd-N distance is 2.236 (8) Å. The two carboxyl-ate groups of individual 5-amino-2,4,6-triiodo-isophthalate anions act as a bridge to the Cd(2+) atoms. leading to a chain structure along the c axis.

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catena-Poly[[dipyridine-mercury(II)]-?-5-amino-2,4,6-triiodo-isophthalato].

Project description:The reaction of mercury(II) chloride with 5-amino-2,4,6-triiodo-isophthalic acid in pyridine solution leads to the formation of the title compound, [Hg(C(8)H(2)I(3)NO(4))(C(5)H(5)N)(2)](n). The structure contains a four-coordinate Hg(2+) ion in a distorted tetra-hedral geometry, which lies on a crystallographic twofold axis. The Hg(2+) ion is bonded to two N atoms from two pyridine ligands and two carboxylate O atoms from two 5-amino-2,4,6-triiodo-isophthalate anions. The two carboxyl-ate groups of individual 5-amino-2,4,6-triiodo-isophthalate anions act as a bridge to the Hg centers. This anion also resides on a twofold axis, which passes through the amino N and the trans standing I atoms. The Hg-O distance is 2.337?(6) and the Hg-N distance is 2.244?(8)?Å.

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2-Amino-4,6-dimethyl-pyrimidin-1-ium 2,3,5-triiodo-benzoate 2,3,5-triiodo-benzoic acid monosolvate.

Project description:In the crystal structure of the title compound, C(6)H(10)N(3) (+)·C(7)H(2)I(3)O(2) (-)·C(7)H(3)I(3)O(2), two R(2) (2)(8) motifs are observed. One is generated by the inter-action of the 2-amino-4,6-dimethyl-pyrimidin-1-ium cation with the carboxyl-ate group of the 2,3,5-triiodo-benzoate anion via N-H⋯O hydrogen bonds. The other R(2) (2)(8) motif is formed by the inter-action of two centrosymmentrically related pyrimidine moieties through N-H⋯N hydrogen bonds. The two motifs combine to form a linear heterotetra-meric unit. Heterotetra-meric units are linked by a carbox-yl-carboxyl-ate O-H⋯O hydrogen bond (involving the O-H group of neutral 2,3,5-triiodo-benzoic acid and an O atom of the anion), forming a supra-molecular chain along the a axis. In addition, components are held by weak I⋯O interactions in the range 3.023 (5) to 3.382 (5) Å and I⋯I inter-actions in the range 3.6327 (7) to 4.0025 (8) Å.

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2,4,6-Tri-amino-1,3,5-triazin-1-ium 3-(prop-2-eno-yloxy)propano-ate acrylic acid monosolvate monohydrate.

Project description:The asymmetric unit of the title salt, C3H7N6 (+)·C6H7O4 (-)·C3H4O2·H2O, contains a 2,4,6-tri-amino-1,3,5-triazin-1-ium cation, a 3-(prop-2-eno-yloxy)propano-ate anion and acrylic acid and water solvent mol-ecules in a 1:1:1:1 ratio and with each species in a general position. In the crystal, the components are linked into a supra-molecular layer in the bc plane via a combination of O-H⋯O, N-H⋯N and N-H⋯O hydrogen bonding. The crystal studied was a non-merohedral twin, the minor component contribution being approximately 26%.

| S-EPMC3648272 | biostudies-literature

3-Amino-phenyl-boronic acid monohydrate.

Project description:In the title compound, C(6)H(8)BNO(2)·H(2)O, the almost planar boronic acid mol-ecules (r.m.s. deviation = 0.044 Å) form inversion dimers, linked by pairs of O-H⋯O hydrogen bonds. The water mol-ecules link these dimers into [100] chains by way of O-H⋯O hydrogen bonds, and N-H⋯O links generate (100) sheets.

| S-EPMC2979464 | biostudies-literature

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