Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6-Oxobenz[de]isoquinolino[2,1-a]benzimidazolium chloride monohydrate.

ABSTRACT: The title compound, C(18)H(11)N(2)O(+)·Cl(-)·H(2)O, was prepared by the reaction of 1,8-naphthalic anhydride with o-phenyl-ene-diamine in DMF. The dihedral angle formed by the phenyl and naphthalic rings is 177.06°. The structure is stabilized by intra-molecular C-H?O hydrogen bonds. There are N-H?Cl, O-H?Cl, C-H?O and C-H?Cl hydrogen bonds in the structure.

SUBMITTER: Jian FF

PROVIDER: S-EPMC2914897 | biostudies-other | 2007

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

6-Oxobenz[de]isoquinolino[2,1-a]benzimidazolium chloride monohydrate.

Jian Fang-Fang FF Du Li L Wang Jing J

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The title compound, C(18)H(11)N(2)O(+)·Cl(-)·H(2)O, was prepared by the reaction of 1,8-naphthalic anhydride with o-phenyl-ene-diamine in DMF. The dihedral angle formed by the phenyl and naphthalic rings is 177.06°. The structure is stabilized by intra-molecular C-H⋯O hydrogen bonds. There are N-H⋯Cl, O-H⋯Cl, C-H⋯O and C-H⋯Cl hydrogen bonds in the structure. ...[more]

PMID: 21200947

Similar Datasets

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

Bis(5,6-dicarboxy-benzimidazolium) sulfate monohydrate.

Project description:In the title compound, 2C(9)H(7)N(2)O(4) (+)·SO(4) (2-)·H(2)O, the sulfate S atom and the water O atom reside on a crystallographic twofold axis. In the crystal, the component species are linked by N-H?O, O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network structure. An intramol-ecular O-H?O link is seen in the cation.

| S-EPMC2969668 | biostudies-literature

2-Methyl-5,6-dinitro-benzimidazolium chloride.

Project description:In the title compound, C(8)H(7)N(4)O(4) (+)·Cl(-), the cation possesses twofold symmetry, with the twofold axis bis-ecting the 2-methyl-5,6-dinitro-benzimidazolium cation. The methyl H atoms are disordered about this twofold axis and were assigned equal half-occupancies. The chloride anion also lies on a twofold axis. In the crystal, N-H?Cl and C-H?O hydrogen bonds link the ions to form a three-dimensional network.

| S-EPMC3100037 | biostudies-literature

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

2-(3-Pyridinio)benzimidazolium penta-chloridobismuthate(III) monohydrate.

Project description:In the title compound, (C(12)H(11)N(3))[BiCl(5)]·H(2)O, the Bi(III) atom is coordinated by five chloride anions in a distorted square-pyramidal geometry. The planar imidazole ring system [maximum deviation = 0.012?(3)?Å] is oriented at a dihedral angle of 6.08?(5)° with respect to the protonated pyridine ring. An O-H?Cl inter-action links the water mol-ecule to the dianion. In the crystal structure, inter-molecular O-H?Cl, N-H?O and N-H?Cl inter-actions link the mol-ecules into a three-dimensional network.

| S-EPMC2977254 | biostudies-literature

Benzimidazolium 2-(2,4-dichloro-phen-oxy)acetate monohydrate.

Project description:In the crystal of the title hydrated mol-ecular salt, C(7)H(7)N(2) (+)·C(8)H(5)Cl(2)O(3)·H(2)O, the components inter-act by way of N-H?O and O-H?O hydrogen bonds, leading to chains propagating in [100].

| S-EPMC2972003 | 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

2-(3-Pyridinio)benzimidazolium penta-chloridoanti-monate(III) monohydrate.

Project description:In the title compound, (C(12)H(11)N(3))[SbCl(5)]·H(2)O, the Sb(III) centre is surrounded by five Cl atoms and displays a distorted square-pyramidal coordination geometry. The dihedral angle formed by the plane of the imidazole ring system with the pyridine ring is 4.380?(15)°. The crystal structure is stabilized by N-H?Cl, O-H?Cl and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2969637 | biostudies-literature

Moxifloxacinium chloride monohydrate.

Project description:The title compound {systematic name: 7-[(1S,6S)-8-aza-2-azonia-bicyclo-[4.3.0]non-8-yl]-1-cyclo-propyl-6-fluoro-8-meth-oxy-4-oxo-1,4-dihydro-quinoline-3-carb-oxy-lic acid chloride monohydrate}, C(21)H(25)FN(3)O(4) (+)·Cl(-)·H(2)O, crystallizes with two moxi-floxa-cinium cations, two chloride ions and two uncoordinated water mol-ecules in the unit cell. The crystal structure has a pseudo-inversion center except for the chloride ions. In both moxi-floxa-cinium cations, the quinoline rings are approximately planar, the maximum atomic deviations being 0.107?(3) and 0.118?(3)?Å. The piperidine rings adopt a chair conformation while the pyrrolidine rings display a half-chair conformation. In the crystal, the carboxyl groups, the protonated piperidyl groups, the uncoordinated water mol-ecule and chloride anions participate in O-H?O, O-H?Cl and N-H?Cl hydrogen bonding; weak inter-molecular C-H?O and C-H?Cl hydrogen bonding is also present in the crystal structure.

| S-EPMC3201314 | biostudies-literature

3-[(4-Amino-5-chloro-2-ethoxy-benz-amido)meth-yl]pyrrolo[2,1-c][1,4]oxazin-5-ium chloride monohydrate.

Project description:The title compound, C(17)H(25)ClN(3)O(3) (+)·Cl(-)·H(2)O, is a monohydrated hydro-chloride salt of a new derivative of mosapride, which is a pharmaceutical compound possessing gastrointestinal pro-kinetic activity. The chloride anion accepts hydrogen bonds from the NH group of the pyrrolooxazine fused-ring system and from the amine group, and the water mol-ecules form hydrogen bonds that bridge between the chloride anion and the C=O bond of the amide.

| S-EPMC2967935 | 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