Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,1'-(Butane-1,4-diyl)di-1H-imidazole-benzene-1,3,5-triol-water (1/1/1).

ABSTRACT: The asymmetric unit of the title compound, C(10)H(14)N(4)·C(6)H(6)O(3)·H(2)O, contains one mol-ecule of benzene-1,3,5-triol, two half-molecules of 1,1'-butane-1,4-diyldi-1H-imidazole (each molecule is centrosymmetric) and one solvent water mol-ecule. In the crystal structure, inter-molecular O-H?O and O-H?N hydrogen bonds link all mol-ecules into a three-dimensional supra-molecular network.

SUBMITTER: Gao JS

PROVIDER: S-EPMC2962182 | biostudies-other | 2008

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,1'-(Butane-1,4-diyl)di-1H-imidazole-benzene-1,3,5-triol-water (1/1/1).

Gao Jin-Sheng JS Yu Ying-Hui YH Hou Guang-Feng GF

Acta crystallographica. Section E, Structure reports online 20080719 Pt 8

The asymmetric unit of the title compound, C(10)H(14)N(4)·C(6)H(6)O(3)·H(2)O, contains one mol-ecule of benzene-1,3,5-triol, two half-molecules of 1,1'-butane-1,4-diyldi-1H-imidazole (each molecule is centrosymmetric) and one solvent water mol-ecule. In the crystal structure, inter-molecular O-H⋯O and O-H⋯N hydrogen bonds link all mol-ecules into a three-dimensional supra-molecular network. ...[more]

PMID: 21203263

Similar Datasets

2,2'-{1,1'-[Butane-1,4-diyl-bis(oxy-nitrilo)]di-ethylidyne}di-1-naphthol.

Project description:The title compound, C(28)H(28)N(2)O(4), was synthesized by the reaction of 2-acetyl-1-naphthol with 1,4-bis-(amino-oxy)butane in ethanol. The molecule, which lies about an inversion centre, adopts a linear structure, in which the oxime groups and naphthalene ring systems assume an anti conformation. The intra-molecular inter-planar distance between parallel naphthalene rings is 1.054?(3)?Å. Intra-molecular O-H?N hydrogen bonds are formed between the oxime nitro-gen and hydr-oxy groups.

| S-EPMC2969537 | biostudies-literature

Butane-1,4-diyl bis-(benzene-carbodi-thio-ate).

Project description:The title compound, C18H18S4, which lies on an inversion center, adopts a trans-gauche (+)-trans-gauche (-)-trans (tg (+) tg (-) t) conformation of the S-CH2-CH2-CH2-CH2-S bond sequence. In the crystal, a ?-? inter-action with a centroid-centroid distance of 3.8797?(16)?Å is observed.

| S-EPMC3884305 | biostudies-literature

catena-Poly[[[aqua-silver(I)]-μ-1,1'-(butane-1,4-di-yl)di-1H-imidazole-κN:N] hemi(biphenyl-4,4'-dicarboxyl-ate) dihydrate].

Project description:In the title compound, {[Ag(C(10)H(14)N(4))(H(2)O)](C(14)H(8)O(4))(0.5)·2H(2)O}(n), the Ag(I) ion is three-coordinated by two N atoms from two independent 1,1'-(butane-1,4-di-yl)di-1H-imidazole (BBI) ligands and one water O atom in a distorted T-shaped coordination geometry. The biphenyl-4,4'-dicarboxyl-ate (BPDC) dianions do not coordinate to Ag(I) ions but act as counter-ions. The Ag(I) ions are linked by BBI ligands, forming a zigzag chain. These chains are linked into a two-dimensional supra-molecular architecture by O-H⋯O hydrogen-bonding inter-actions between water mol-ecules and carboxyl-ate O atoms of the BPDC dianions.

| S-EPMC2971936 | biostudies-literature

1,1'-(Butane-1,4-di-yl)bis-[2-(pyridin-2-yl)-1H-benzimidazole].

Project description:The complete mol-ecule of the title compound, C(28)H(24)N(6), is generated by inversion symmetry with the inversion centre located at the mid-point of the central C-C bond of the butanediyl unit. The benzimidazole and pyridine rings are almost coplanar, the dihedral angle between their mean planes being 6.86?(11)°.

| S-EPMC3344554 | biostudies-literature

3,3'-(2,2'-Bi-1H-imidazole-1,1'-diyl)dipropanol.

Project description:In the title compound, C(12)H(18)N(4)O(2), unlike other unconjugated disubstituted biimidazole derivatives reported so far, the two imidazole rings in a trans conformation exhibit a large planar rotation angle of 51.27?(4)°, and consist of half-mol-ecule asymmetric units related by a twofold rotation. The mol-ecules are linked into a three-dimensional framework with a parallel laminated construction via O-H?N and C-H?O inter-actions.

| S-EPMC2968367 | biostudies-literature

1,1'-(Butane-1,4-di-yl)diimidazolium dinitrate.

Project description:In the title compound, C(10)H(16)N(4) (2+)·2NO(3) (-), the organic cation is located around an inversion centre. The imidazolium ring forms a dihedral angle of 62.7?(3)° with the plane defined by the C atoms of the -(CH(2))(4)- aliphatic linker. Two anions bind to the cation via three-centre N-H?O hydrogen bonds and thus discrete hydrogen-bonded ion triples are formed. The nitrate is approximately coplanar with the imidazolium ring to which it binds.

| S-EPMC2915236 | biostudies-literature

Poly[[[?(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-?N:N](?(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-?O:O)zinc] dihydrate].

Project description:In the title coordination polymer, {[Zn(C(9)H(7)NO(4))(C(10)H(14)N(4))]·2H(2)O}(n), the Zn(II) ion displays a distorted tetra-hedral geometry with two imidazole N atoms from two 1,1'-(butane-1,4-di-yl)bis-(imidazole) (bbi) ligands and two carboxyl-ate O atoms from two 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (dpdc) ligands. The bbi and dpdc ligands bridge the Zn(II) ions, forming layers parallel to (011). O-H?O and O-H?N hydrogen bonds and ?-? inter-actions between the imidazole rings [centroid-centroid distance = 3.807?(5)?Å] connect the layers. Two of the three uncoordinated water mol-ecules are disordered, each over two 0.25-occupancy positions.

| S-EPMC3201321 | biostudies-literature

S,S'-Butane-1,4-diyl bis-(benzene-carbo-thio-ate).

Project description:The title compound, C18H18O2S2, which lies on an inversion center, adopts a gauche (+)-trans-trans-trans-gauche (-) (g (+) tttg (-)) conformation in the S-CH2-CH2-CH2-CH2-S bond sequence. In the crystal, mol-ecules are packed in a herringbone arrangement through inter-molecular C-H?? inter-actions.

| S-EPMC3884287 | biostudies-literature

1,1'-(Butane-1,4-di-yl)dipyridinium dibromide dihydrate.

Project description:The organic cation in the title compound, C(14)H(18)N(2) (2+)·2Br(-)·2H(2)O, is situated on an inversion centre. The cations, anions and water mol-ecules are linked via O-H?Br, C-H?Br and C-H?O hydrogen bonds, and ?-? stacking inter-actions between adjacent pyridine rings, with a centroid-centroid separation of 3.8518?(17)?Å.

| S-EPMC2960452 | biostudies-literature

1,1'-Dimethyl-1,1'-(butane-1,4-di-yl)dipyrrolidinium dibromide methanol disolvate.

Project description:In the title compound, C(14)H(30)N(2) (2+)·2Br(-)·2CH(3)OH, two terminal C atoms of the butane chain are connected to two N atoms of the 1-methyl-pyrollidines, forming a linear diquaternary ammonium cation. The cation lies across a centre of inversion located between the two central C atoms of the butane chain. The asymmetric unit therefore comprises one half-cation, a bromide anion and a methanol solvent mol-ecule. In the crystal structure, the bromide anions are linked to the methanol solvent mol-ecules by O-H?Br hydrogen bonds.

| S-EPMC2960454 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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