Browse
Submit Data
Databases
API
Help

Dataset Information

11 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-{(E)-N-[2-(1H-Inden-3-yl)eth-yl]imino-meth-yl}-1H-imidazole.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(15)N(3), contains two crystallographically independent mol-ecules with very similar geometries. The imidazole and indenyl planes are approximately orthogonal, making dihedral angles of 88.21?(9) and 83.08?(9)%deg; in the two independent molecules. In the crystal, the imidazole units are linked by N-H?N hydrogen bonds into chains parallel to the 101) plane stretched in the diagonal direction [translation vector ([Formula: see text],1,0); C(4) motif]. Within a chain, there are two types of symmetrically non-equivalent alternating H-bonds which slightly differ in their parameters.

SUBMITTER: Li Z

PROVIDER: S-EPMC3089109 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-{(E)-N-[2-(1H-Inden-3-yl)eth-yl]imino-meth-yl}-1H-imidazole.

Li Zhao Z Tian Chong C Nie Wanli W Borzov Maxim V MV

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

The asymmetric unit of the title compound, C(15)H(15)N(3), contains two crystallographically independent mol-ecules with very similar geometries. The imidazole and indenyl planes are approximately orthogonal, making dihedral angles of 88.21 (9) and 83.08 (9)%deg; in the two independent molecules. In the crystal, the imidazole units are linked by N-H⋯N hydrogen bonds into chains parallel to the 101) plane stretched in the diagonal direction [translation vector ([Formula: see text],1,0); C(4) moti ...[more]

PMID: 21754472

Similar Datasets

(2-{[2-Carboxyl-ato-1-(4-chloro-phen-yl)eth-yl]imino-meth-yl}phenolato-?O,N,O')(1H-imidazole-?N)copper(II) monohydrate.

Project description:The Cu(II) atom of the title complex, [Cu(C(16)H(12)ClNO(3))(C(3)H(4)N(2))]·H(2)O, has a distorted square-planar coordination geometry formed by a tridentate Schiff base dianion and an imidazole ligand. The imidazole is nearly coplanar with the coordination plane, the dihedral angle between the planes being 3.73?(12)°. In the Schiff base ligand, the two benzene rings are oriented at a dihedral angle of 75.87?(12)°. O-H?O and N-H?O hydrogen bonding is present in the crystal structure. One H atom of the uncoordinated water mol-ecule is disordered equally over two sites.

| S-EPMC2979152 | biostudies-literature

{4-Chloro-2-[(2-hy-droxy-eth-yl)imino-meth-yl]phenolato}{4-chloro-2-[(2-oxido-eth-yl)imino-meth-yl]phenolato}cobalt(III).

Project description:In the title mononuclear cobalt(III) compound, [Co(C(9)H(8)ClNO(2))(C(9)H(9)ClNO(2))], the Co(II) atom is six-coordinated by two imine N atoms, two phenolate O atoms, and one hy-droxy and one oxide O atom from two Schiff base ligands, forming an octa-hedral geometry. In the crystal structure, adjacent mol-ecules are linked through inter-molecular O-H?O hydrogen bonds. The 2-oxidoethyl group is disordered over two positions in a 0.638?(3):0.362?(3) ratio.

| S-EPMC3008055 | biostudies-literature

1-{[(2,3-Dihydro-1H-inden-2-yl)-oxy]meth-yl}quinazoline-2,4(1H,3H)-dione.

Project description:In the title mol-ecule, C(18)H(16)N(2)O(3), the five-membered ring has an envelope conformation, with the substituted C atom deviating by 0.342?(4)?Å from the mean plane P calculated for the remainder of the non-H atoms of the 2,3-dihydro-1H-indene fragment. The mean planes of quinazoline-2,4(1H,3H)-dione fragment and P form a dihedral angle of 59.08?(4)°. In the crystal, pairs of N-H?O hydrogen bonds link mol-ecules into inversion dimers, and weak C-H?O hydrogen bonds and ?-? inter-actions between the benzene rings of the quinazoline ring systems [centroid-centroid distance = 3.538?(3)?Å] further consolidate the packing.

| S-EPMC3379431 | biostudies-literature

rac-4-{(E)-[1-Cyano-1-cyclo-hexyl-2-(1H-indol-3-yl)eth-yl]imino-meth-yl}benzonitrile.

Project description:A phosphine-catalysed addition of gramine to an alkyl-idene-amino-nitrile gives the title compound, C(25)H(24)N(4), in good yield. In the crystal, pairs of mol-ecules are connected via N-H?N hydrogen bonds into inversion dimers. The mol-ecules are characterized by a planar indole moiety [maximum deviation = 0.012?(1)?Å], a chair conformation of the cyclo-hexane ring and an anti-periplanar conformation of the H atom on the cyclo-hexane and the adjacent cyano group.

| S-EPMC3239068 | biostudies-literature

rac-2-{[1-(1-Adamant-yl)eth-yl]imino-meth-yl}-5-meth-oxy-phenol.

Project description:A novel Schiff base compound, C(20)H(27)NO(2), was obtained by a condensation of rimantadine and 2-hy-droxy-4-meth-oxy-benzaldehyde. An intra-molecular O-H?N hydrogen bond supports the phenol-imine tautomeric form. The adamantane and imino-methyl-4-meth-oxy-phenol units are arranged in a folded conformation [C-N-C-C torsion angle = 110.9?(3)°]. In the crystal, highly hydro-phobic adamantane moieties are inserted between the imino-methyl-4-meth-oxy-phenol units in a sandwich-like arrangement along the c axis.

| S-EPMC3200738 | biostudies-literature

2-Eth-oxy-6-[(methyl-imino)-meth-yl]phenol.

Project description:In the title compound, C(10)H(13)NO(2), synthesized by the reaction of 2-hy-droxy-3-eth-oxy-benzaldehyde with methyl-amine, there is an an intra-molecular O-H?N hydrogen bond involving the hy-droxy substituent and the amino N atom. In the crystal, mol-ecules form inversion dimers connected by pairs of C-H?O hydrogen bonds.

| S-EPMC3006704 | biostudies-literature

4-[(E)-(4-Eth-oxy-phen-yl)imino-meth-yl]phenol.

Project description:In the title compound, C(15)H(15)NO(2), the dihedral angle between the benzene rings is 52.04?(5)° and the mol-ecule has an E conformation about the central C=N bond. In the crystal, mol-ecules are connected by O-H?N hydrogen bonds, forming zigzag chains along the b axis. The crystal packing also features weak C-H?O inter-actions.

| S-EPMC3435674 | biostudies-literature

1,3-Bis[(-)-(S)-(1-phenyl-eth-yl)imino-meth-yl]benzene.

Project description:The title compound, C(24)H(24)N(2), is an enanti-omerically pure bis-aldimine, which displays twofold crystallographic symmetry, with two C atoms of the central benzene ring lying on the symmetry axis. The imine group is slightly twisted from the benzene core, with a dihedral angle of 12.72 (16)° between the benzene ring and the C=N-C(*) plane. The terminal phenyl rings make an angle of 66.44 (4)° and are oriented in opposite directions with respect to the benzene ring. In the crystal, mol-ecules inter-act weakly through a C-H⋯π inter-action involving the phenyl rings, and form chains along the 2(1) screw-axis in the [100] direction.

| S-EPMC3151960 | biostudies-literature

4-Chloro-2-((E)-{3-[1-(hydroxy-imino)eth-yl]phen-yl}imino-meth-yl)phenol.

Project description:The title compound, C(15)H(13)ClN(2)O(2), adopts an E conformation with respect to the azomethine C=N bond. The aniline and phenol rings are almost coplanar, making a dihedral angle of 3.33?(2)°. In the crystal, the mol-ecules lie about inversion centers, forming dimers that are connected by inter-molecular O-H?N hydrogen bonds, resulting in six-membered rings with graph-set motif R(2) (2)(6). In addition, there is a strong inter-molecular O-H?N hydrogen-bonding inter-action, resulting in an S(6) ring motif. Weak ?-? inter-actions between the benzene rings [centroid-centroid distance = 3.809?(1)?Å] further stabilize the crystal structure.

| S-EPMC2972112 | biostudies-literature

1-[(Biphenyl-4-yl)(phen-yl)meth-yl]-1H-imidazole (bifonazole).

Project description:In the title compound, C(22)H(18)N(2), the dihedral angles formed by the imidazole ring with the phenyl ring and the benzene ring of the biphenyl group are 87.02?(5) and 78.20?(4)°, respectively. In the crystal, mol-ecules inter-act through inter-molecular C-H?N hydrogen bonds, forming chains parallel to the b axis. These chains are further linked into a three-dimensional network by C-H?? stacking inter-actions.

| S-EPMC2983152 | 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