Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone.

ABSTRACT: The title compound C(8)H(8)N(2)Se, is the product of the reaction of 2-chloro-1-methyl-benzimidazole with sodium hydro-selenide. The mol-ecule is almost planar (r.m.s. deviation = 0.041?Å) owing to the presence of the long chain of conjugated bonds (Se=C-NMe-C=C-C=C-C=C-NH). The C=Se bond length [1.838?(2)?Å] corresponds well to those found in the close analogs and indicates its pronounced double-bond character. In the crystal, mol-ecules form helicoidal chains along the b axis by means of N-H?Se hydrogen bonds.

SUBMITTER: Mammadova GZ

PROVIDER: S-EPMC3344510 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone.

Mammadova Gunay Z GZ Matsulevich Zhanna V ZV Osmanov Vladimir K VK Borisov Alexander V AV Khrustalev Victor N VN

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

The title compound C(8)H(8)N(2)Se, is the product of the reaction of 2-chloro-1-methyl-benzimidazole with sodium hydro-selenide. The mol-ecule is almost planar (r.m.s. deviation = 0.041 Å) owing to the presence of the long chain of conjugated bonds (Se=C-NMe-C=C-C=C-C=C-NH). The C=Se bond length [1.838 (2) Å] corresponds well to those found in the close analogs and indicates its pronounced double-bond character. In the crystal, mol-ecules form helicoidal chains along the b axis by means of N-H⋯S ...[more]

PMID: 22590272

Similar Datasets

1,3-Bis[(1H-benzotriazol-1-yl)meth-yl]-2,3-dihydro-1H-benzimidazole.

Project description:In the title compound, C(21)H(18)N(8), the two (benzotriazol-1-yl)methyl groups are located in an anti position with respect to the benzimidazoline moiety. The dihedral angles between the benzotriazole ring systems and the central benzimidazoline moiety are 57.03 (4) and 81.01 (3)°. The crystal packing is stabilized by two C-H⋯π inter-actions.

| S-EPMC3099965 | biostudies-literature

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

Project description:In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082?(1)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H?N hydrogen bonds occur.

| S-EPMC2971137 | biostudies-literature

4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one monohydrate.

Project description:The seven-membered fused-ring in the title compound, C(10)H(10)N(2)O·H(2)O, adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow). In the crystal, two benzodiazepinone mol-ecules are linked about a center of inversion by diazepine-carbonyl N-H?O hydrogen bonds. The dimers are further linked by water-diazepine O-H?N hydrogen bonds, forming a linear chain.

| S-EPMC2979438 | biostudies-literature

1,3-Bis(3-phenyl-prop-yl)-1H-1,3-benzimidazole-2(3H)-selone.

Project description:The title mol-ecule, C(25)H(26)N(2)Se, has mirror symmetry, with the mirror plane passing through the atoms of the C=Se bond and the mid-points of the two C-C bonds of the benzene ring of the benzimidazole group. The dihedral angle between the benzimidazole ring system and the phenyl ring is 71.62?(14)°.

| S-EPMC3089112 | biostudies-literature

(2E)-2-(Furan-2-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(14)H(10)O(2), the five-membered ring of the inden-1-one residue is almost planar (r.m.s. deviation = 0.035?Å). A twist about the single bond linking the two residues is evident [C-C-C-C torsion angle = -13.2?(5)°]. The three-dimensional architecture is stabilized by C-H?O (involving the trifurcated carbonyl O atom), C-H?? and ?-? inter-actions [between the five- and six-membered rings of inden-1-one residues; ring centroid-centroid distance = 3.7983?(17)?Å]. The sample studied was a non-merohedral twin; the minor component refined to approximately 36%.

| S-EPMC3344023 | biostudies-literature

2-Benzyl-3-hy-droxy-3-methyl-2,3-dihydro-1H-isoindol-1-one.

Project description:In the title compound, C(16)H(15)NO(2), the isoindoline ring system is approximately planar (mean deviation = 0.0186?Å) and makes a dihedral angle of 61.91?(4)° with the phenyl ring. In the crystal, mol-ecules form inversion dimers via pairs of O-H?O hydrogen bonds.

| S-EPMC3379372 | biostudies-literature

Ethyl 2-(4-methyl-benzo-yl)-2,3-dihydro-1H-indene-2-carboxyl-ate.

Project description:The title compound, C20H20O3, contains two fused rings with a quaternary carbon centre connecting p-toluoyl and eth-oxy-carbonyl groups. The dihedral angle between the fused benzene ring and the three-C-atom plane (derived from O=C-C-C=O) is 82.5 (4)°, whereas the dihedral angle between the planes of the benzene rings is 53.4 (2)°. In the crystal, molecules are linked via C-H⋯Oester hydrogen bonds, forming chains propagating along [010].

| S-EPMC3629534 | biostudies-literature

Protolytic cleavage of Hg-C bonds induced by 1-methyl-1,3-dihydro-2H-benzimidazole-2-selone: synthesis and structural characterization of mercury complexes.

Project description:Multinuclear ((1)H, (77)Se, and (199)Hg) NMR spectroscopy demonstrates that 1-methyl-1,3-dihydro-2H-benzimidazole-2-selone, H(sebenzim(Me)), a structural analogue of the selenoamino acid, selenoneine, binds rapidly and reversibly to the mercury centers of HgX2 (X = Cl, Br, I), while X-ray diffraction studies provide evidence for the existence of adducts of composition [H(sebenzim(Me))]xHgX2 (X = Cl, x = 2, 3, 4; X = I, x = 2) in the solid state. H(sebenzim(Me)) also reacts with methylmercury halides, but the reaction is accompanied by elimination of methane resulting from protolytic cleavage of the Hg-C bond, an observation that is of relevance to the report that selenoneine demethylates CysHgMe, thereby providing a mechanism for mercury detoxification. Interestingly, the structures of [H(sebenzim(Me))]xHgX2 exhibit a variety of different hydrogen bonding patterns resulting from the ability of the N-H groups to form hydrogen bonds with chlorine, iodine, and selenium.

| S-EPMC4415037 | biostudies-literature

2-Trifluoro-methyl-1H-benzimidazole.

Project description:The asymmetric unit of the title compound, C(8)H(5)F(3)N(2), consists of two half-mol-ecules, one lies on a mirror plane and the other is generated by twofold rotation symmetry, with the axis running through the trifluoro-methyl C atom and the attached benzimidazole C atom. The two 2-trifluoro-methyl-1H-benzimidazole mol-ecules are connected by N-H⋯N hydrogen bonds involving the disordered NH H atoms into chains running parallel to the c axis. One of the trifluoro-methyl groups is disordered over two orientations of equal occupancy.

| S-EPMC3344623 | biostudies-literature

2,3-Dihydro-1H-pyrrolizin-1-one.

Project description:There are two nearly identical mol-ecules in the asymmetric unit of the title compound, C(7)H(7)NO. The mol-ecules are nearly planar (r.m.s. deviations of 0.025 and 0.017 Å) and oriented at a dihedral angle of 28.98 (3)°. The two mol-ecules are linked by a C-H⋯O hydrogen bond. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.

| S-EPMC2983252 | 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