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Cis-Cyclo-heptane-1,2-diol.

ABSTRACT: The title compound, C(7)H(14)O(2), is a vicinal diol derived from cyclo-heptane with cis-orientated hydr-oxy groups. The mol-ecules shows no non-crystallographic symmetry. The O-C-C-O torsion angles of both mol-ecules present in the asymmetric unit [-66.4 (2) and -66.9 (2)°] are similar to those in trans-configured cyclo-hexane derivatives (including pyran-oses) as well as rac-trans-cyclo-heptane-1,2-diol, but smaller than those in trans-configured cyclo-pentane derivatives (including furan-oses). In the crystal structure, O-H⋯O hydrogen bonds furnish the formation of sheets parallel to [110].

SUBMITTER: Betz R

PROVIDER: S-EPMC2971971 | biostudies-literature |

REPOSITORIES: biostudies-literature

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The metabolism of cis- and trans-indane-1,2-diol.

Project description:1. The metabolism of cis-indane-1,2-diol, trans-indane-1,2-diol, indene epoxide and 2-hydroxyindan-1-one in rats has been studied. The substances were administered to the animals by subcutaneous injection. 2. The urine of the dosed animals was examined for the presence of free and conjugated cis- and trans-dihydrodiols, and for each compound it was possible to isolate both cis and trans forms of indane-1,2-diol from the urine. 3. The urines were also examined by paper chromatography for ketones and two ketonic metabolites were detected in the urine of rats dosed separately with cis-indane-1,2-diol, trans-indane-1,2-diol, 2-hydroxyindan-1-one and indene epoxide. The ketones were provisionally identified as (1-oxoindan-2-yl glucosid)uronic acid and 1-oxoindan-2-yl sulphuric acid. 4. (1-Oxoindan-2-yl glucosid)uronic acid was isolated as the 2,4-dinitrophenylhydrazone from the urine of rats dosed separately with cis-indane-1,2-diol and trans-indane-1,2-diol. 5. Possible mechanisms for the interconversion of cis- and trans-indane-1,2-diol are discussed.

| S-EPMC1265060 | biostudies-other

catena-Poly[diaqua-(cis-cyclo-hexane-1,2-dicarboxyl-ato)cadmium].

Project description:In the title polymer, [Cd(C(8)H(10)O(4))(H(2)O)(2)](n), the Cd(II) cation is coordinated by five carboxyl-ate O atoms from three different cyclo-hexane-1,2-dicarboxyl-ate anions and two O atoms from two water mol-ecules, displaying a distorted CdO(7) pentagonal-bipyramidal geometry. Each anion acts as a ?(3)-bridge, linking symmetry-related Cd(II) ions into a layer parallel to (010). In the crystal, numerous O-H?O and C-H?O hydrogen bonds occur. The coordinated water mol-ecules and carboxyl-ate O atoms act as donors or acceptors in the formation of these hydrogen-bonding inter-actions.

| S-EPMC3247538 | biostudies-literature

7'-Amino-1'H-spiro-[cyclo-heptane-1,2'-pyrimido[4,5-d]pyrimidin]-4'(3'H)-one.

Project description:The title compound, C(12)H(17)N(5)O, was obtained by cyclo-condensation of 2,4-diamino-pyrimidine-5-carbonitrile with cyclo-hepta-none. The tetra-hydro-pyrimidine ring has a dis-torted boat conformation and the cyclo-heptane ring adopts a chair conformation. In the crystal, molecules are linked via N-H⋯O and N-H⋯N hydrogen bonds generating a three-dimensional network.

| S-EPMC3414991 | biostudies-literature

Microsomal ring-fission of cis- and trans-acenaphthene-1,2-diol.

Project description:1. The ring-fission of cis- and trans-acenaphthene-1,2-diol by rat liver microsomes was studied. 2. 1,8-Naphthalic acid was detected and isolated after microsomal incubations of the diols. 3. The accompanying reduction of NAD(+) was followed spectrophotometrically. 4. The optimum pH for the microsomal reaction was 9.4 for the oxidation of the cis-diol and 9.8 for that of the trans-diol. 5. p-Chloromercuribenzoate and 2,4-dichlorophenol inhibited the reaction. 6. Possible mechanisms for the microsomal ring-fission, involving 1,8-naphthalic aldehyde, are discussed.

| S-EPMC1198853 | biostudies-other

1-(3-Phenyl-isoxazol-5-yl)cyclo-hexane-1,2-diol.

Project description:In the title compound, C(15)H(17)NO(3), there are two mol-ecules in the asymmetric unit wherein the isoxazole rings make dihedral angles of 16.16?(15) and 16.79?(13)° with the benzene rings, and the cyclo-hexane rings adopt chair conformations. In both mol-ecules, the hydroxyl groups of the diol fragments are cis oriented, the O-C-C-O torsion angles being 60.76?(12) and -55.86?(11)°. The two mol-ecules are linked by a strong O-H?N hydrogen bond and the crystal packing is stabilized by one O-H?N and two O-H?O hydrogen bonds. An intra-molecular O-H?O hydrogen bond is observed in one of the mol-ecules.

| S-EPMC2969214 | biostudies-other

catena-Poly[[dimethyl-tin(IV)]-?-cis-cyclo-hexane-1,2-dicarboxyl-ato].

Project description:The title complex, [Sn(CH(3))(2)(C(8)H(10)O(4))](n), was synthesized from cis-cyclo-hexane-1,2-dicarboxylic acid and dimethyl-tin dichloride. The complex has a bridging bis-bidentate carboxyl-ate group resulting in a zig-zag chain structure parallel to [001]. The Sn atom is six-coordinated and displays a distorted octa-hedral geometry.

| S-EPMC2968691 | biostudies-literature

rac-cis-Cyclo-hexane-1,2-dicarb-oxy-lic acid-isoquinoline (1/1).

Project description:In the crystal structure of the title mol-ecular adduct, C(9)H(7)N·C(8)H(12)O(4), the two species are -linked through a carb-oxy-lic acid-isoquinoline O-H⋯N hydrogen bond. These mol-ecular pairs then inter-associate through the second acid group of the cis-cyclo-hexane-1,2-dicarb-oxy-lic acid molecules, forming a classic centrosymmetric cyclic head-to-head carb-oxy-lic acid-carboxyl O-H⋯O hydrogen-bonding association [graph-set R(2) (2)(8)], giving a zero-dimensional (cluster) structure, consisting of two of each species.

| S-EPMC3200759 | biostudies-literature

cis-N,N-Bis(2-hy-droxy-benzyl-idene)cyclo-hexane-1,2-diamine.

Project description:In the title compound, C(20)H(22)N(2)O(2), the cyclo-hexane ring adopts a chair conformation and the two N atoms bonded to salicyl-idene groups are in cis positions. Both hy-droxy groups are involved in intra-molecular O-H⋯N hydrogen bonding and the two benzene rings form a dihedral angle of 60.5 (1)°.

| S-EPMC3239038 | biostudies-literature

(1S,2R,4S)-1-[(Benzyl-amino)-meth-yl]-4-(prop-1-en-2-yl)cyclo-hexane-1,2-diol.

Project description:The title compound, C(17)H(25)NO(2), was synthesized by epoxidation of the double bond of (S)-perillyl alcohol [(S)-4-isopropenyl-1-cyclo-hexenyl-methanol], followed by the oxirane ring-opening by benzyl-amine using [Ca(CF(3)CO(2))(2)] as catalyst under solvent-free condition at 313?K. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond. In the crystal, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming chains parallel to the a axis, which are further connected by O-H?O hydrogen bonds into sheets parallel to (010). The absolute configuration of the mol-ecule is known from the synthetic procedure.

| S-EPMC3050382 | biostudies-literature

3-(3,5-Dichlorophenyl)benzene-1,2-diol.

Project description:The title structure [systematic name: 4-(3,5-dichlorophenyl)benzene-1,2-diol], C12H8Cl2O2, is a putative metabolite of 3,5-dichlorobiphenyl (PCB 14). The dihedral angle between the two benzene rings of the title compounds is 58.86 (4)°. In the crystal, it displays intra and intermolecular O-H···O hydrogen bonding and intermolecular O-H···Cl hydrogen···chlorine interactions.

| S-EPMC8547764 | biostudies-literature

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