Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Cyclo-pentane-1,1-di-yl)dimethanol.

ABSTRACT: In the title compound, C(7)H(14)O(2), co-operative eight-membered homodromic rings of O-H?O hydrogen bonds connect the mol-ecules into strands along [100]. According to graph-set analysis, the descriptor of these cycles is R(4) (4)(8). The cyclo-pentane-ring adopts an envelope conformation ((C4)E).

SUBMITTER: Betz R

PROVIDER: S-EPMC2968446 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(Cyclo-pentane-1,1-di-yl)dimethanol.

Betz Richard R Klüfers Peter P Mayer Peter P

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

In the title compound, C(7)H(14)O(2), co-operative eight-membered homodromic rings of O-H⋯O hydrogen bonds connect the mol-ecules into strands along [100]. According to graph-set analysis, the descriptor of these cycles is R(4) (4)(8). The cyclo-pentane-ring adopts an envelope conformation ((C4)E). ...[more]

PMID: 21582148

Similar Datasets

Dibromido[1,1'-dibutyl-2,2'-(pentane-1,1-di-yl)di-1H-benzimidazole]-copper(II).

Project description:In the title compound, [CuBr(2)(C(27)H(36)N(4))], the Cu(II) ion exhibits a distorted tetra-hedral coordination geometry provided by two bromide ions and by chelation of two imine N-atom donors from a bis-(benzimidazole) ligand. Chelation results in a six-membered boat-shaped ring which links the benzimidazole groups. Each bis-(benzimidazole) fragment contains three n-butyl substituents, two of which have the expected trans conformation; the third exhibits the higher-energy cis conformation, an orientation consistent with several short intra-molecular C-H⋯Br inter-actions. Essentially planar (r.m.s. deviations of 0.0101 and 0.0183 Å) benzimidazole groups are oriented so as to give the bis-(benzimidazole) fragment a V-shaped appearance in profile with the cis and trans n-butyl groups directed to opposite sides of the planes. In the crystal, columns of mol-ecules along the b-axis direction form layers parallel to the (202) planes. Within a given column, the mol-ecules are linked by C-H⋯Br hydrogen bonds. The mol-ecules in adjacent columns are also linked by inter-molecular C-H⋯π interactions, forming a three-dimensional network.

| S-EPMC3007084 | biostudies-literature

Ammonium dihydrogen (1-ammonio-pentane-1,1-di-yl)diphospho-nate.

Project description:The title compound, NH(4) (+)·C(5)H(14)NO(6)P(2) (-), was obtained from 1-ammonio-1-phosphono-pentane-1-phospho-nic acid and ammonium hydroxide in aqueous solution. The asymmetric unit of title compound contains one molecule, which consists of an ammonium cation and an aminodiphosphonic anion with the H atoms transferred from the phosphonic acid group to the amino group. The crystal structure shows a three-dimensional network of O-H?O and N-H?O hydrogen bonds which stabilize the structure.

| S-EPMC2977313 | biostudies-literature

4,4'-(Cyclo-hexane-1,1-di-yl)diphenol methanol solvate.

Project description:The title compound, crystallized as a methanol solvate, C(18)H(20)O(2)·CH(3)OH, is an inter-mediate in the synthesis of the anti-lipidemic agent clinofibrate. Mol-ecules are packed together with the methanol solvent molecule via two O-H?O hydrogen bonds. The third O-H?O hydrogen bond is between neighboring 4,4'-(cyclo-hexane-1,1-di-yl)diphenol mol-ecules. The dihedral angle between two benzene rings planes is 81.69?(6).

| S-EPMC2968192 | biostudies-literature

4,4'-(Cyclo-hexane-1,1-di-yl)dianilinium dichloride monohydrate.

Project description:In the title compound, C(18)H(24)N(2) (2+)·2Cl(-)·H(2)O, both the cation and the water mol-ecule lie on a twofold crystallographic axis. In the cation, the two benzene rings are perpendicular to each other, making a symmetry-constrained dihedral angle of 90°. In the crystal, N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds result in the formation of a three-dimensional network.

| S-EPMC3200667 | biostudies-literature

3,3'-Dihy-droxy-6,6'-bis-(hy-droxy-meth-yl)-2,2'-(pentane-1,1-di-yl)di-4H-pyran-4-one.

Project description:In the title mol-ecule, C(17)H(20)O(8), the two pyran rings form a dihedral angle of 61.2?(2)°. The two hy-droxy-methyl groups are each disordered over two sets of sites in a 0.764?(3):0.236?(3) ratio. In the crystal, O-H?O hydrogen bonds link the mol-ecules into layers parallel to the ac plane.

| S-EPMC3344022 | biostudies-literature

trans-Bis[(1-ammonio-pentane-1,1-di-yl)diphospho-nato-?O,O']diaqua-copper(II).

Project description:In the title compound, [Cu(C(5)H(14)NO(6)P(2))(2)(H(2)O)(2)], the Cu(II) atom occupies a special position on an inversion centre. It exhibits a distorted octa-hedral coordination environment consisting of two O,O'-bidentate (1-ammonio-pentane-1,1-di-yl)diphospho-nate anions in the equatorial plane and two trans water mol-ecules located in axial positions. The ligand mol-ecules are coordinated to the Cu(II) atom in their zwitterionic form via two O atoms from different phospho-nate groups, creating two six-membered chelate rings with a screw-boat conformation. The CuO(6) coordination polyhedron is strongly elongated in the axial direction with 0.6?Å longer bonds than those in the equatorial plane. Intra-molecular N-H?O hydrogen bonding helps to stabilize the mol-ecular configuration. The presence of supra-molecular -PO(OH)?O(OH)P- units parallel to (100) and other O-H?O and N-H?O hydrogen bonds establish the three-dimensional set-up.

| S-EPMC3011560 | biostudies-literature

3-Carbamoyl-2,2-dimethyl-cyclo-pentane-1,1-dicarb-oxy-lic acid.

Project description:In the title compound, C(10)H(15)NO(5), the five-membered cyclo-pentane ring has an envelope conformation, with four atoms lying in a plane (mean deviation = 0.0213 Å), while the fifth atom deviates from this plane by 0.626 (2) Å. A three-dimensional structure is formed through N-H⋯O and O-H⋯O hydrogen bonds between the amide and carb-oxy-lic acid groups and both carb-oxy-lic acid and amide O-atom acceptors.

| S-EPMC3295496 | biostudies-literature

catena-Poly[[[bis-(4-amino-benzoato-κO)copper(II)]-μ-1,1'-(pentane-1,5-di-yl)diimidazole] trihydrate].

Project description:In the title compound, {[Cu(C(7)H(6)NO(2))(2)(C(11)H(16)N(4))]·3H(2)O}(n), each Cu(II) atom is coordinated by two O atoms from two 4-amino-benzoate anions, and two N atoms from two different 1,1'-(pentane-1,5-di-yl)diimidazole (biim-5) ligands, to furnish a distorted square-planar geometry. The biim-5 ligand coordinates to two copper(II) cations, acting as a bridging ligand; as a result the copper(II) cations are connected to form an infinite chain structure. The polymeric chains are linked through a variety of hydrogen bonds to form a three-dimensional structure.

| S-EPMC2915095 | biostudies-literature

(E)-2-(1,1-Di-cyclo-hexyl-3-phenyl-all-yl)-5,5-dimethyl-1,3,2-dioxaborinane.

Project description:The crystal structure of the title compound, C26H39BO2, which contains no strong hydrogen bond donors, displays only long C-H?O contacts between inversion-related pairs of mol-ecules. The structure contains layers rich in oxygen and boron parallel to the ac plane. The dioxaborinane ring adopts an envelope conformation with the C atom attached to the two methyl groups as the flap .

| S-EPMC3884414 | biostudies-literature

Crystal structure of 1,1'-{(pentane-1,5-di-yl)bis[(aza-niumylyl-idene)methanylyl-idene]}bis(naphthalen-2-olate).

Project description:The whole mol-ecule of the title compound, C27H26N2O2, is generated by twofold rotational symmetry, with the central C atom of the pentyl chain located on the twofold rotation axis. The compound crystallizes as a bis-zwitterion, and there are two intra-molecular N-H⋯O hydrogen bonds generating S(6) ring motifs. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming ribbons propagating along [001], and enclosing R 2 (2)(22) ring motifs.

| S-EPMC4555373 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data