Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(Benzimidazolium-2-yl)propionate dihydrate.

ABSTRACT: In the crystal struture of the title compound, C(10)H(10)N(2)O(2)·2H(2)O, the component species are linked to the water mol-ecules by N-H?O and O-H?O hydrogen bonds to form a three-dimensional network structure.

SUBMITTER: Xiao X

PROVIDER: S-EPMC2959715 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(Benzimidazolium-2-yl)propionate dihydrate.

Xiao Xin X Zhang Yun-Qiang YQ Xue Sai-Feng SF Tao Zhu Z

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

In the crystal struture of the title compound, C(10)H(10)N(2)O(2)·2H(2)O, the component species are linked to the water mol-ecules by N-H⋯O and O-H⋯O hydrogen bonds to form a three-dimensional network structure. ...[more]

PMID: 21580932

Similar Datasets

1,3-Diallyl-2-methyl-benzimidazolium bromide dihydrate.

Project description:The bonds in the five-membered ring of the title hydrated salt, C(14)H(17)N(2) (+)·Br(-)·2H(2)O, are delocalized. The cation lies on a special position of m site symmetry such that the mirror plane passes through the imidazol-yl-methyl bond and is perpendicular to the plane of the cation. The anion lies on another special position of 2 site symmetry. The anion and uncoordinated water mol-ecule are linked into a chain by O-H?O hydrogen bonds. One of the water O atoms is disordered over two sites of equal occupancy.

| S-EPMC2970382 | biostudies-literature

3,3'-(Piperazine-1,4-diium-1,4-di-yl)di-propionate dihydrate.

Project description:During the recrystallization of 3-[4-(2-carb-oxy-eth-yl)piperazin-1-yl]propionic acid, the carb-oxy-lic acid H atoms were transferred to the piperazine N atoms, forming the title compound, C(10)H(18)N(2)O(4)·2H(2)O, in which the zwitterion lies about an inversion center. In the crystal, bifurcated N-H?(O,O) hydrogen bonds connect the zwitterions into a two-dimensional framework parallel to (-102) forming R(4) (4)(30) rings. O-H?O hydrogen bonds involving the solvent water mol-ecules connect the two-dimensional framework into a three-dimensional network. In addition, weak C-H?O hydrogen bonds are observed.

| S-EPMC3470189 | biostudies-other

2-(Chloro-meth-yl)benzimidazolium chloride.

Project description:The structure of title compound, C(8)H(8)ClN(2) (+)·Cl(-), comprises discrete ions which are inter-connected by N-H⋯Cl hydrogen bonds, leading to a neutral one-dimensional network in [001]. This hydrogen bonding appears to complement π-π stacking inter-actions [centroid-centroid distances 3.768 (2) and 3.551 (2) Å] and helps to stabilize the structure further.

| S-EPMC2977832 | biostudies-literature

1-Benzyl-3-[(trimethyl-sil-yl)meth-yl]benzimidazolium chloride monohydrate.

Project description:The title compound, C(18)H(23)N(2)Si(+)·Cl(-)·H(2)O, was synthesized from 1-[(trimethyl-sil-yl)meth-yl]benzimidazole and benzyl chloride in dimethyl-formamide. The benzimidazole ring system is approximately planar, with a maximum deviation of 0.022 (2) Å, and makes an angle of 74.80 (12)° with the phenyl ring. The crystal packing is stabilized by O-H⋯Cl, C-H⋯Cl, C-H⋯O and C-H⋯π inter-actions between symmetry-related mol-ecules together with π-π stacking inter-actions between the imidazolium and benzene rings [centroid-centroid distance = 3.5690 (15) Å] and between the benzene rings [centroid-centroid distance = 3.7223 (14) Å].

| S-EPMC3007035 | biostudies-literature

2-(1,3-Thia-zol-4-yl)benzimidazolium nitrate monohydrate.

Project description:In the title compound, C(10)H(8)N(3)S(+)·NO(3) (-)·H(2)O, one of the N atoms of the benzimidazole unit is protonated, unlike than that in the thia-zole group. This protonation leads to equalization of the bond angles at the two N atoms of the benzimidazole group. The benzimidazole and thia-zole systems are almost coplanar, forming a dihedral angle of 0.5?(2)°. In the crystal, the nitrate anion and water mol-ecule bridge the thia-bendazolium cations through N-H?O and O-H?O hydrogen bonds, leading to a supra-molecular network based on an infinite one-dimensional chain using [001] as base vector.

| S-EPMC2984023 | biostudies-literature

1-(Prop-2-en-1-yl)-3-[(trimethyl-sil-yl)meth-yl]benzimidazolium bromide monohydrate.

Project description:In the title compound, C(14)H(21)N(2)Si(+)·Br(-)·H(2)O, the benzimidazole ring system is almost planar [maximum deviation = 0.021 (2) Å]. In the crystal, O-H⋯Br and C-H⋯O hydrogen bonds link the ions via the O atoms of the water mol-ecules. In addition, there are π-π stacking inter-actions between the centroids of the benzene and imidazole rings of the benzimidazole ring system [centroid-centroid distances = 3.521 (3) and 3.575 (2) Å].

| S-EPMC3008061 | biostudies-literature

6-Nitro-benzimidazolium dihydrogen phosphate 6-nitro-benzimidazole solvate dihydrate.

Project description:In the crystal structure of the title compound, C(7)H(6)N(3)O(2) (+)·H(2)PO(4) (-)·C(7)H(5)N(3)O(2)·2H(2)O, the components are connected through O-H?O, N-H?O and O-H?N hydrogen-bonding inter-actions, forming a sheet-like structure parallel to (101). Adjacent sheets are further linked together by strong O-H?O hydrogen-bonds involving the dihydrogenphosphate groups. ?-? stacking inter-actions between neighbouring aromatic constituents [centroid-centroid distance 3.653?(3)?Å] help to consolidate the crystal packing.

| S-EPMC3006800 | biostudies-other

trans-Diaqua-bis(ethyl-enediamine-?N,N')copper(II) bis[3-(3-pyrid-yl)propionate] dihydrate.

Project description:The asymmetric unit of the title complex, [Cu(C(2)H(8)N(2))(2)(H(2)O)(2)](C(8)H(8)NO(2))(2)·2H(2)O, contains one anion, one half-cation and one water mol-ecule. The Cu(II) atom in the [Cu(en)(2)(H(2)O)(2)](2+) cation (en is ethyl-enediamine) lies on an inversion centre. The four N atoms of the en ligands in the equatorial plane around the Cu(II) atom form a slightly distorted square-planar arrangement, while the slightly distorted Jahn-Teller octa-hedral coordination is completed by two water O atoms in axial positions. In the crystal structure, intra- and inter-molecular N-H?O and O-H?O hydrogen bonds form a three-dimensional network.

| S-EPMC2960896 | biostudies-other

4-Oxo-2-phenylchroman-6-yl propionate.

Project description:In the structure of the title compound, C(18)H(16)O(4), both the S and R enanti-omers appear to occupy in a random way four symmetry-equivalent sites of the unit cell in an approximately 4:1/1:4 ratio. The chiral C atom of the pyrone ring together with the phenyl ring bonded to this atom are disordered over two positions, the occupancy factor of the major component being 0.809?(5). Adjacent molecules are linked by weak C-H?O hydrogen bonds.

| S-EPMC2979424 | biostudies-literature

Methyl 3-(4-methoxy-benzo-yl)propionate.

Project description:The asymmetric unit of the title compound, C(12)H(14)O(3), contains two independent mol-ecules, in which the benzene rings are oriented at a dihedral angle of 72.08 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There are also C-H⋯π contacts between aromatic CH groups and the benzene rings.

| S-EPMC2960146 | 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