Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[(E)-Quinoxalin-2-ylmethyl-idene]-1H-indazol-5-amine.

ABSTRACT: In the title mol-ecule, C(16)H(11)N(5), the mean planes of the quinoxaline and indazole fragments form a dihedral angle of 10.62?(5)°. In the crystal, weak inter-molecular N-H?N hydrogen bonds link the mol-ecules into zigzag chains extending in the [001] direction. The crystal packing also exhibits ?-? inter-actions [centroid-centroid distances of 3.7080?(2) and 3.8220?(5)?Å], which form stacks of the mol-ecules parallel to the a axis.

SUBMITTER: Leeju P

PROVIDER: S-EPMC2977485 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-[(E)-Quinoxalin-2-ylmethyl-idene]-1H-indazol-5-amine.

Leeju P P Arun V V Sebastian Manju M Varsha G G Varghese Digna D Yusuff K K M KK

Acta crystallographica. Section E, Structure reports online 20090725 Pt 8

In the title mol-ecule, C(16)H(11)N(5), the mean planes of the quinoxaline and indazole fragments form a dihedral angle of 10.62 (5)°. In the crystal, weak inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into zigzag chains extending in the [001] direction. The crystal packing also exhibits π-π inter-actions [centroid-centroid distances of 3.7080 (2) and 3.8220 (5) Å], which form stacks of the mol-ecules parallel to the a axis. ...[more]

PMID: 21583657

Similar Datasets

1,3-Dimethyl-1H-indazol-6-amine.

Project description:The mol-ecular skeleton of the title compound, C(9)H(11)N(3), is almost planar, with a maximum deviation of 0.0325?(19)?Å for the amino N atom. In the crystal, N-H?N hydrogen bonds establish the packing.

| S-EPMC3344439 | biostudies-literature

N,N'-Bis[(E)-quinoxalin-2-ylmethyl-idene]-ethane-1,2-diamine.

Project description:In the mol-ecule of the title compound, C(20)H(16)N(6), the central C-C bond lies on a crystallographic inversion centre. The quinoxalidine ring is nearly planar, with a maximum deviation of 0.021?(2)?Å from the mean plane. The crystal structure is stabilized by inter-molecular C-H?N inter-actions, leading to the formation of a layer-like structure, which extends along the a axis.

| S-EPMC2968406 | biostudies-literature

Benzyl N'-(1H-indol-3-ylmethyl-idene)-hydrazinecarbodithio-ate.

Project description:The C(10)H(8)N(3)S(2) portion of the title mol-ecule, C(17)H(15)N(3)S(3), is nearly planar (r.m.s. deviation 0.05?Å); this unit and the phenyl ring subtend an angle of 114.5?(2)° at the methyl-ene C atom.

| S-EPMC2959648 | biostudies-literature

N'-(5-Bromo-1H-indol-3-ylmethyl-idene)-3,4,5-trihydroxy-benzohydrazide.

Project description:The two aromatic parts of the title mol-ecule, C(16)H(12)BrN(3)O(4), are connected through a conjugated -CH=N-NH-C(O)- fragment to furnish an almost planar mol-ecule. Adjacent mol-ecules are linked by N-H?O and O-H?O hydrogen bonds into a three-dimensional network. An intramolecular O-H?O link also occurs.

| S-EPMC2959687 | biostudies-literature

2-Hydr-oxy-(2-methyl-1H-indol-3-ylmethyl-idene)benzohydrazide ethanol solvate.

Project description:In the title compound, C(17)H(15)N(3)O(2)·C(2)H(6)O, Schiff base molecules are linked by a hydr-oxy-amido hydrogen bond into a helical chain running along the b axis. This chain is consolidated by two other hydrogen bonds; the ethanol solvent mol-ecule is a hydrogen-bond donor to the amide group and a hydrogen-bond acceptor for the indolyl NH group of an adjacent Schiff base mol-ecule.

| S-EPMC2961492 | biostudies-literature

3,4,5-Trihydr-oxy-N'-(1H-indol-2-ylmethyl-idene)benzohydrazide-1H-indole-2-carbaldehyde azine-methanol (2/1/2).

Project description:The title compound, 2C(16)H(13)N(3)O(4)·C(18)H(14)N(4)·2CH(4)O, was crystallized from the reaction between 3,4,5-trihydroxy-benzoyl-hydrazine and indole-2-carbaldehyde in a mixture of ethanol and methanol. The compound is a stoichiometric 2:1 cocrystal of the methanol-solvated reaction product, 3,4,5-trihydr-oxy-N'-(1H-indol-2-ylmethyl-idene)benzohydrazide and 1H-indole-2-carbaldehyde azine that arose unexpectedly during the synthesis. The former mol-ecules are linked by O-H?O hydrogen bonds and also by ?-? stacking inter-actions between benzoyl-hydrazide rings into a two-dimensional network. The methanol solvent mol-ecules are hydrogen bonded to this network. The centrosymmetric azine mol-ecules are not engaged in hydrogen bonding.

| S-EPMC2980105 | biostudies-literature

Bis[N,N-bis-(1-allyl-1H-benzimidazol-2-ylmethyl-?N)benzyl-amine-?N]cadmium dipicrate.

Project description:The crystal structure of the title compound, [Cd(C(29)H(29)N(5))(2)](C(6)H(2)N(3)O(7))(2), consists of Cd(II) complex cations and picrate anions. In the complex cation, the Cd(II) ion is chelated by two bis-(1-allyl-benzimidazol-2-ylmeth-yl)benzyl-amine (babb) ligands in a distorted octa-hedral geometry. Extensive C-H?O hydrogen bonding occurs between cations and anions in the crystal structure.

| S-EPMC3120489 | biostudies-literature

3-Methyl-4-[(E)-3-thien-ylmethyl-idene-amino]-1H-1,2,4-triazole-5(4H)-thione.

Project description:The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent mol-ecules. The thio-phene ring of one mol-ecule is disordered over two positions with refined site occupancies of 0.6375?(19) and 0.3625?(19). One mol-ecule is almost planar and the other one is twisted, the dihedral angles between the thio-phene and triazole rings being 7.28?(7) and 48.9?(2)° [48.5?(4)° for the minor component], respectively. An intra-molecular C-H?S hydrogen bond stabilizes the mol-ecular conformation of the planar molecule. In the crystal, the two mol-ecules are inter-connected by N-H?S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C-H?N hydrogen bonds. Weak C-H?? and ?-? inter-actions [centroid-centroid distance = 3.5149?(7)?Å] are also observed.

| S-EPMC3009062 | biostudies-literature

2-[(E)-(1H-Pyrrol-2-ylmethyl-idene)hydrazinyl]pyridine monohydrate.

Project description:The title hydrate, C(10)H(10)N(4)·H(2)O, shows a small twist in the hydro-zone derivative, the dihedral angle between the pyridine and pyrrole rings being 11.08?(12)°. The pyridine and pyrrole N atoms lie to the same side of the mol-ecule being sustained in place by hydrogen-bonding inter-actions with the water mol-ecule. Further inter-molecular O-H?N and N-H?O hydrogen bonding leads to the formation of supra-molecular arrays in the ab plane.

| S-EPMC2971851 | biostudies-other

N-[1-(2-Hydroxy-phen-yl)ethyl-idene]-N-(1H-indol-3-ylmethyl-ene)carbonic dihydrazide.

Project description:In the crystal structure of the title compound {alternative name: 1-[1-(2-hydroxy-phen-yl)ethyl-ideneamino]-3-(1H-indol-3-ylmethyl-eneamino)urea}, C(18)H(17)N(5)O(2), the planar indole component is twisted at an angle of 63.7?(10)° with respect to the rest of the mol-ecule. This compound is one of a series being studied for biological activity. The hydr-oxy groups are involved in both intra-molecular (O-H?N) and inter-molecular (N-H?O) hydrogen bonds.

| S-EPMC2960057 | 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