Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Methyl-phen-yl)-2H-indazole.

ABSTRACT: The title compound, C(14)H(12)N(2), was synthesized by the reaction of 4-methyl-N-(2-nitro-benz-yl)aniline with tin(II) chloride dihydrate in ethanol at 313?K. The indazole ring system is almost planar with a dihedral angle of 1.58?(10)° between the rings, whereas the plane of the attached p-tolyl substituent shows a dihedral angle of 46.26?(5)° with respect to the indazole core.

SUBMITTER: Zhou X

PROVIDER: S-EPMC3009268 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(4-Methyl-phen-yl)-2H-indazole.

Zhou Xingqin X Qin Xiaofen X Zhang Jiankang J

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

The title compound, C(14)H(12)N(2), was synthesized by the reaction of 4-methyl-N-(2-nitro-benz-yl)aniline with tin(II) chloride dihydrate in ethanol at 313 K. The indazole ring system is almost planar with a dihedral angle of 1.58 (10)° between the rings, whereas the plane of the attached p-tolyl substituent shows a dihedral angle of 46.26 (5)° with respect to the indazole core. ...[more]

PMID: 21588941

Similar Datasets

2-Methyl-6-nitro-2H-indazole.

Project description:In the title compound, C(8)H(7)N(3)O(2), the mol-ecular skeleton is almost planar with a maximum deviation of 0.0484 (9) Å for the methyl C atom. In the crystal, weak inter-molecular C-H⋯N and C-H⋯O hydrogen bonds help to establish the packing.

| S-EPMC3120619 | biostudies-literature

Propan-2-yl r-4-(4-fluoro-phen-yl)-3-hy-droxy-c-6-methyl-2-phenyl-4,5-dihydro-2H-indazole-t-5-carboxyl-ate.

Project description:In the title compound, C(24)H(23)FN(2)O(3), the cyclo-hexene ring adopts a screw-boat conformation. The fluorobenzene ring attached to the cyclo-hexene ring and the phenyl ring attached to the indazole moiety are inclined to one another by 57.77?(13)°. In the crystal, mol-ecules are linked by O-H?N and C-H?O hydrogen bonds, forming chains with C(5) and C(10) graph-set motifs. There are also C-H?? inter-actions present. The isopropoxycarbonyl group undergoes considerable thermal motion.

| S-EPMC3470376 | biostudies-literature

2-(2-Meth-oxy-5-methyl-phen-yl)-2H-benzotriazole.

Project description:In the title mol-ecule, C(14)H(13)N(3)O, the dihedral angle between the mean planes of the benzotriazole ring system and the benzene ring is 57.8 (2)°.

| S-EPMC3007938 | biostudies-literature

2,2'-(Propane-1,3-di-yl)bis-(2H-indazole).

Project description:The title mol-ecule, C(17)H(16)N(4), is a bis-indazole crystallized in the rare 2H-tautomeric form. Indazole heterocycles are connected by a propane C(3) chain, and the mol-ecule is placed on a general position, in contrast to the analogous compound with a central C(2) ethane bridge, which was previously found to be placed on an inversion center in the same space group. In the title mol-ecule, indazole rings make a dihedral angle of 60.11?(7)°, and the bridging alkyl chain displays a trans conformation, resulting in a W-shaped mol-ecule. In the crystal, mol-ecules inter-act weakly through ?-? contacts between inversion-related pyrazole rings, with a centroid-centroid separation of 3.746?(2)?Å.

| S-EPMC3213583 | biostudies-literature

1-Methyl-2-(4-methyl-phen-yl)-4-morpholinopyridazine-3,6(1H,2H)-dione.

Project description:The structure analysis of the title compound, C(16)H(19)N(3)O(3), has been undertaken in order to facilitate the inter-pretation of (1)H and (13)C NMR data and to determine the position of the morpholine residue in this nucleophilic substitution product. The main result is that the morpholine group, with a chair conformation, is connected at the 4-position of the pyridazine ring. The benzene and pyridazine rings make a dihedral angle of 62.17 (5)°. Mol-ecules are linked into a two-dimensional network by non-classical C-H⋯O hydrogen bonds, in which O atoms serve as double or triple acceptors.

| S-EPMC2960232 | biostudies-literature

N-(2-Methyl-phen-yl)-1,2-benzoselen-azol-3(2H)-one.

Project description:IN THE TITLE EBSELEN [SYSTEMATIC NAME: (2-phenyl-1,2-benzoisoselenazol-3-(2H)-one)] analogue, C14H11NOSe, the benzisoselenazolyl moiety (r.m.s. deviation = 0.0209 Å) is nearly perpendicular to the N-arenyl ring, making a dihedral angle of 78.15 (11)°. In the crystal, mol-ecules are linked by C-H⋯O and Se⋯O inter-actions into chains along the c-axis direction. The Se⋯O distance [2.733 (3) Å] is longer than that in Ebselen (2.571 (3) Å].

| S-EPMC3790406 | biostudies-literature

Crystal structure of (<i>E</i>)-3-[(2,6-di-methyl-phen-yl)diazen-yl]-7-methyl-1<i>H</i>-indazole.

Project description:The title azo compound, C16H16N4, was synthesized from 2,6-di-methyl-aniline. The diazenyl group adopts a trans (E) conformation, with an N=N bond length of 1.265 (4) Å. The pyrazole ring is approximately planar. In the crystal, zigzag chains along the b-axis direction with a C(3) is graph-set motif are formed by N-H⋯N hydrogen bonds involving the pyrazole moiety.

| S-EPMC6176435 | biostudies-literature

Diclomezine: 6-(3,5-dichloro-4-methyl-phen-yl)pyridazin-3(2H)-one.

Project description:In the title compound, C(11)H(8)Cl(2)N(2)O, the benzene and pyridazine rings are tilted by 8.6?(1)° relative to each other. In the crystal, pairs of inter-molecular N-H?O hydrogen bonds form centrosymmetric dimers. ?-? contacts with centroid-centroid distances of 3.698?(2) and 3.751?(1)?Å and halogen-halogen inter-actions [3.379?(1)?Å] also stabilize the structure.

| S-EPMC3011476 | biostudies-literature

Crystal structure of 3-[2-(4-methyl-phen-yl)ethyn-yl]-2H-chromen-2-one.

Project description:The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048?Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68?(4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H?O hydrogen bonds, and these are connected into double layers via weak C-H?? inter-actions; these stack along the a axis.

| S-EPMC4384545 | biostudies-literature

4-(4-Methyl-phen-yl)-2-(prop-2-yn-1-yl)phthalazin-1(2H)-one.

Project description:In the title compound, C18H14N2O, the dihedral angle between the methyl-phenyl ring and the phthalazone ring system (r.m.s. deviation = 0.034 Å) is 53.93 (9)°. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds, forming chains along [101]. The chains are linked by π-π inter-actions [centroid-centroid distance 3.6990 (12) Å], forming layers parallel to (10-1).

| S-EPMC3998303 | 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