Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1,3-Bis(hydroxy-meth-yl)benzimidazolin-2-one.

ABSTRACT: The title compound, C(9)H(10)N(2)O(3), crystallizes with one and a half mol-ecules in the asymmetric unit, one lying on a general position and the other on a twofold rotation axis. The dihedral angle between the two independent benzimidazole ring systems is 18.96?(5)°. In the crystal, mol-ecules are linked into a three-dimensional network by O-H?O hydrogen bonding involving N-hydroxy-methyl and carbonyl groups, and C-H?O hydrogen bonds.

SUBMITTER: Devarajegowda HC

PROVIDER: S-EPMC2971179 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

1,3-Bis(hydroxy-meth-yl)benzimidazolin-2-one.

Devarajegowda H C HC Madhura V V Palakshamurthy B S BS Jeyaseelan S S Kulkarni Manohar V MV

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

The title compound, C(9)H(10)N(2)O(3), crystallizes with one and a half mol-ecules in the asymmetric unit, one lying on a general position and the other on a twofold rotation axis. The dihedral angle between the two independent benzimidazole ring systems is 18.96 (5)°. In the crystal, mol-ecules are linked into a three-dimensional network by O-H⋯O hydrogen bonding involving N-hydroxy-methyl and carbonyl groups, and C-H⋯O hydrogen bonds. ...[more]

PMID: 21578330

Similar Datasets

5,5-Bis(hydroxy-meth-yl)-2-phenyl-1,3-dioxane.

Project description:In the title compound, C(12)H(16)O(4), the 1,3-dioxane ring adopts a chair conformation; the 2-phenyl substitutent occupies an equatorial position. Adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into a chain.

| S-EPMC2962161 | biostudies-literature

1,3-Bis(chloro-meth-yl)benzene.

Project description:The title compound, C8H8Cl2, used in the synthesis of many pharmaceutical inter-mediates, forms a three-dimensional network through chlorine-chlorine inter-actions in the solid-state that measure 3.513 (1) and 3.768 (3) Å.

| S-EPMC3770413 | biostudies-literature

6-Bromo-1,3-bis-[(1,3-dioxolan-2-yl)meth-yl]-1H-imidazo[4,5-b]pyridin-2(3H)-one.

Project description:In the title compound, C14H16BrN3O5, the N atoms adjacent to the carbonyl group in the five-membered ring are substituted by (1,3-dioxolan-2-yl)methyl groups. The fused ring system is essentially planar, with the largest deviation from the mean plane being 0.014 (2) Å for the C atom bearing the Br atom. The first oxolane ring, attached on the side of the N atom belonging to the pyridine ring, has an envelope conformation with one of the O atoms as the flap, whereas the second oxolane ring displays a twisted boat conformation. The two oxolane rings display envelope and twisted boat conformations. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, building chains parallel to the a-axis direction.

| S-EPMC3772466 | biostudies-literature

1,3-Bis[(naphthalen-2-ylsulfan-yl)meth-yl]benzene.

Project description:Mol-ecules of the title compound, C(28)H(22)S(2), are located on a crystallographic mirror plane with one half-mol-ecule in the asymmetric unit. The dihedral angle between the phenyl ring and the naphthyl unit is 83.14 (7)°. In the crystal, mol-ecules are inter-connected by C-H⋯S and C-H⋯π inter-actions.

| S-EPMC3344549 | biostudies-literature

Bis(6-meth-oxy-2-{[tris-(hydroxy-meth-yl)-meth-yl]-imino-meth-yl}phenolato)-copper(II) dihydrate.

Project description:In the title compound, [Cu(C(12)H(16)NO(5))(2)]·2H(2)O, the Cu(II) ion adopts a trans-CuN(2)O(4) octa-hedral geometry arising from two N,O,O'-tridentate 6-meth-oxy-2-{[tris-(hydroxy-meth-yl)meth-yl]-imino-meth-yl}phenolate ligands. The Jahn-Teller distortion of the copper centre is unusally small. In the crystal structure, O-H?O hydrogen bonds, some of which are bifurcated, link the component species.

| S-EPMC2968260 | biostudies-literature

Bis[μ-4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole]bis{bis-[4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole]nickel(II)} tetra-nitrate methanol disolvate.

Project description:The title complex, [Ni(2)(C(4)H(8)N(4)O(2))(6)](NO(3))(4)·2CH(4)O, contains a centrosymmetric binuclear nickel(II) complex bridged by a pair of 4-amino-3,5-bis-(hydroxy-meth-yl)-1,2,4-triazole ligands. The separation between the Ni(II) atoms is 3.962 (1) Å. The Ni atoms are in a slightly distorted octa-hedral coordination. Inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds connect the ligands, solvent mol-ecules and nitrate ions.

| S-EPMC2914969 | biostudies-literature

1,3-Bis(bromo-meth-yl)-2-nitro-benzene.

Project description:In the title compound, C(8)H(7)Br(2)NO(2), an inter-mediate for the synthesis of macrocycles, the NO(2) group makes a dihedral angle of 65.07?(19)° with the arene ring, and the bromo-methyl substituents adopt a trans conformation about the ring such that the mol-ecule closely approximates C2 symmetry.

| S-EPMC2984041 | biostudies-literature

2,3-Bis(phenoxy-meth-yl)buta-1,3-diene.

Project description:The mol-ecule of the title compound, C(18)H(18)O(2), a symmetrically phenol-substituted divinyl analog, exhibits crystallographically imposed C(2) symmetry. The phenolic and divinyl planar groups inter-sect each other orthogonally, with a dihedral angle of 82.7 (1)°. The structure is stabilized by a short intra-molecular C-H⋯O contact. The mol-ecules are held together by C-H⋯π inter-actions, forming a sheet structure parallel to the (201) plane.

| S-EPMC2915194 | biostudies-literature

2,6-Bis(4-meth-oxy-phen-yl)-1,3-dimethyl-piperidin-4-one O-benzyl-oxime.

Project description:The central ring of the title compound, C(28)H(32)N(2)O(3), exists in a chair conformation with an equatorial disposition of all the alkyl and aryl groups on the heterocycle. The para-anisyl groups on both sides of the secondary amino group are oriented at an angle of 54.75?(4)° with respect to each other. The oxime derivative exists as an E isomer with the methyl substitution on one of the active methyl-ene centers of the mol-ecule. The crystal packing features weak C-H?O inter-actions.

| S-EPMC3275265 | biostudies-literature

Bis[(E)-4-(hydroxy-imino-meth-yl)pyridinium] oxalate.

Project description:The formula unit of the title compound, 2C(6)H(7)N(2)O(+)·C(2)O(4) (2-), comprises two symmetry-equivalent 4-(hydroxy-imino-meth-yl)-pyridinium cations on general positions, linked through hydrogen bonding via an oxalate anion that resides on a crystallographic centre of symmetry. The crystal structure consists of infinite chains of cations and oxalate anions directed by O-H⋯O and multicentre N-H⋯O inter-molecular hydrogen-bonding inter-actions.

| S-EPMC2915244 | 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