Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-tert-Butyl-2-[4-(dimethyl-amino)-phen-yl]imidazo[1,2-a]pyrazin-3-amine.

ABSTRACT: In the title compound, C18H23N5, the imidazole ring makes a dihedral angles of 3.96?(8) and 19.02?(8)°, respectively, with the pyrazine and benzene rings while the dihedral angle between the pyrazine and benzene rings is 16.96?(7)°. In the crystal, mol-ecules are linked via N-H?N hydrogen bonds, forming chains along [010]. These chains are linked by C-H?N hydrogen bonds, forming two-dimensional networks lying parallel to (001).

SUBMITTER: Fatima Z

PROVIDER: S-EPMC3629650 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-tert-Butyl-2-[4-(dimethyl-amino)-phen-yl]imidazo[1,2-a]pyrazin-3-amine.

Fatima Zeenat Z Srinivasan Thothadri T Koorathota Suman S Thennarasu Sathiah S Velmurugan Devadasan D

Acta crystallographica. Section E, Structure reports online 20130328 Pt 4

In the title compound, C18H23N5, the imidazole ring makes a dihedral angles of 3.96 (8) and 19.02 (8)°, respectively, with the pyrazine and benzene rings while the dihedral angle between the pyrazine and benzene rings is 16.96 (7)°. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains along [010]. These chains are linked by C-H⋯N hydrogen bonds, forming two-dimensional networks lying parallel to (001). ...[more]

PMID: 23634137

Similar Datasets

N-tert-Butyl-2-(2,6-di-chloro-phen-yl)imidazo[1,2-a]pyrazin-3-amine.

Project description:In the title compound, C16H16Cl2N4, the imidazole ring mean plane makes a dihedral angle of 70.01 (1)° with the phenyl ring. The Cl atoms deviate by -0.0472 (6) and 0.0245 (8) Å from the plane of their attached benzene ring. In the crystal, mol-ecules are linked via pairs of C-H⋯N hydrogen bonds, forming inversion dimers.

| S-EPMC3685091 | biostudies-literature

Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-a]pyridine derivatives: N-tert-butyl-2-(4-meth-oxy-phen-yl)-5-methyl-imidazo[1,2-a]pyridin-3-amine and N-tert-butyl-2-[4-(di-methyl-amino)-phen-yl]imidazo[1,2-a]pyridin-3-amine.

Project description:In the title imidazo[1,2-a]pyridine derivatives, N-tert-butyl-2-(4-meth-oxy-phen-yl)-5-methyl-imidazo[1,2-a]pyridin-3-amine, C19H23N3O, (I), and N-tert-butyl-2-[4-(di-methyl-amino)-phen-yl]imidazo[1,2-a]pyridin-3-amine, C19H24N4, (II), the 4-meth-oxy-phenyl ring in (I) and the 4-(di-methyl-amino)-phenyl ring in (II) are inclined to the respective imidazole rings by 26.69?(9) and 31.35?(10)°. In the crystal of (I), mol-ecules are linked by N-H?N hydrogen bonds, forming chains propagating along the [001] direction. The chains are linked by C-H?? inter-actions, forming layers parallel to the (010) plane. In (II), the crystal packing also features N-H?N hydrogen bonds, which together with C-H?N hydrogen bonds link mol-ecules to form chains propagating along the c-axis direction. The chains are linked by C-H?? inter-actions to form layers parallel to the (100) plane. Inversion-related layers are linked by offset ?-? inter-actions [inter-centroid distance = 3.577?(1)?Å]. The inter-molecular inter-actions of both compounds were analyzed using Hirshfeld surface analysis and two-dimensional fingerprint plots.

| S-EPMC6281107 | biostudies-literature

4-tert-Butyl-N-[(2,6-dimethyl-phen-yl)carbamothio-yl]benzamide.

Project description:The asymmetric unit of the title compound, C(20)H(24)N(2)OS, consists of two crystallographically independent mol-ecules. In each mol-ecule, an intra-molecular N-H⋯O hydrogen bond forms an S(6) ring motif. The dihedral angles between the terminal benzene rings in the two mol-ecules are 75.52 (7) and 42.80 (7)°. In the crystal, inter-molecular N-H⋯S inter-actions link the mol-ecules into a chain along the c axis.

| S-EPMC3435693 | biostudies-literature

tert-Butyl 4-({[(E)-1,3-dimethyl-5-phen-oxy-pyrazol-4-yl]meth-yl}amino-oxymeth-yl)benzoate.

Project description:The title compound, C(24)H(27)N(3)O(4), also known as fenpyroximate, is a commercial acaricide. The benzene ring of the phen-oxy group is approximately perpendicular to the pyrazole ring with a dihedral angle of 84.37 (11)°. The dihedral angle between the phen-oxy and the benzoate benzene rings is 48.83 (8)°.

| S-EPMC2915255 | biostudies-literature

N-[3-(tert-Butyl-dimethyl-siloxymeth-yl)-5-nitro-phen-yl]acetamide.

Project description:The title compound, C(15)H(24)N(2)O(4)Si, was prepared by the reaction of (3-acetamido-5-nitro-benz-yl)methanol with tert-butyl-dimethyl-silyl chloride and is a key inter-mediate in the synthesis of novel nonsymmetrical DNA minor groove-binding agents. There are two independent mol-ecules in the structure, which differ primarily in the rotation about the C-O bond next to the Si atom. Two strong N-H?O hydrogen bonds align the mol-ecules into a wide ribbon extending approximately parallel to the b axis.

| S-EPMC2959232 | biostudies-literature

2,6-Di-tert-butyl-4-(dimethyl-amino-meth-yl)phenol.

Project description:The title compound, C(17)H(29)NO, is an important hindered phenol derivative. The asymmetric unit contains two mol-ecules. Molecules inter-act through O-H⋯N hydrogen bonds to form a tetramer arranged around a twofold rotation axis.

| S-EPMC2915276 | biostudies-literature

1,2:3,5-Bis[(4-tert-butyl-phen-yl)boranedi-yl]-?-d-glucofuran-ose.

Project description:The crystal structure of the title compound, C(26)H(34)B(2)O(6), comprises two crystallographically independent mol-ecules. In the crystal, the mol-ecules are linked by multiple inter-molecular O-H?O and C-H?O hydrogen bonds into a two-dimensional array.

| S-EPMC3011785 | biostudies-literature

Tris{2-[(2,6-dimethyl-phen-yl)amino]-eth-yl}amine.

Project description:The title compound, C(30)H(42)N(4), is an aryl-ated tris-(amino-eth-yl)amine derivative which was obtained by reducing the corresponding tris-amide with AlH(3). The asymmetric unit consists of one third of a C(3v)-symmetric mol-ecule with the tertiary N atom lying on a crystallographic threefold axis.

| S-EPMC3239057 | biostudies-literature

3-tert-Butyl-1-(3-nitro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(13)H(16)N(4)O(2), the pyrazole ring forms a dihedral angle of 50.61?(6)° with the 3-nitro-phenyl ring. The plane of the nitro group is twisted by 6.8?(7)° out of the plane of the phenyl ring. In the crystal, the mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, forming sheets in the bc plane. In addition, a weak C-H?N inter-action is observed.

| S-EPMC3515264 | biostudies-literature

Crystal structure of 1,2-bis-[(2-tert-butyl-phen-yl)imino]-ethane.

Project description:The whole molecule of the title compound, C22H28N2, (I), is generated by inversion symmetry. The mol-ecule is rather similar to that of 2,3-bis-[(2-tert-butyl-phen-yl)imino]-butane, (II), a di-imine ligand comprising similar structural features [Ferreira et al. (2006 ▶). Acta Cryst. E62, o4282-o4284]. Both ligands crystallize with the -N=C(R)-C(R)=N- group around an inversion centre, in a trans configuration. Comparing the two structures, it may be noted that the independent planar groups in both mol-ecules [the central link, -N=C(R)-C(R)=N-, and the terminal aromatic ring] subtend an angle of 69.6 (1)° in (II) and 49.4 (2)° in (I). Ferreira and co-workers proposed that such angle deviation may be ascribed to the presence of two non-classical intra-molecular hydrogen bonds and steric factors. In fact, in (I), similar non-classical hydrogen bonds are observed, and the larger angular deviation in (II) may be assigned to the presence of methyl groups in the di-imino fragment, which can cause steric hindrance due to the presence of bulky tert-butyl substituents in the aromatic rings. The C=N bond lengths are similar in both compounds and agree with comonly accepted values.

| S-EPMC4459346 | 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