Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

6-Methyl-N-(2-methyl-phen-yl)-3-phenyl-1,6-dihydro-1,2,4,5-tetra-zine-1-carbox-amide.

ABSTRACT: In the title compound, C(17)H(16)N(5)O, the central tetra-zine ring adopts an unsymmetrical boat conformation with the two C atoms as flagpoles. This compound can be considered as having homoaromaticity. The crystal structure is stabilized by inter-molecular C-H?O inter-actions between a benzene H atom and the carbonyl O atom.

SUBMITTER: Xu F

PROVIDER: S-EPMC2962064 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

6-Methyl-N-(2-methyl-phen-yl)-3-phenyl-1,6-dihydro-1,2,4,5-tetra-zine-1-carbox-amide.

Xu Feng F Hu Weixiao W

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

In the title compound, C(17)H(16)N(5)O, the central tetra-zine ring adopts an unsymmetrical boat conformation with the two C atoms as flagpoles. This compound can be considered as having homoaromaticity. The crystal structure is stabilized by inter-molecular C-H⋯O inter-actions between a benzene H atom and the carbonyl O atom. ...[more]

PMID: 21203148

Similar Datasets

Erratum: 6-Methyl-N-(2-methyl-phen-yl)-3-phenyl-1,6-dihydro-1,2,4,5-tetra-zine-1-carbox-amide. Corrigendum.

Project description:The formula of the title compound in the paper by Xu & Hu [Acta Cryst. (2008), E64, o1432] is corrected.[This corrects the article DOI: 10.1107/S1600536808020199.].

| S-EPMC2979741 | biostudies-literature

1-[3-(4-Methoxy-phen-yl)-6-methyl-1,6-dihydro-1,2,4,5-tetra-zin-1-yl]propanone.

Project description:In the title compound, C(13)H(16)N(4)O(2), the central tetra-zine ring adopts an unsymmetrical boat conformation with the two C atoms as flagpoles. This compound can be considered as having homoaromaticity.

| S-EPMC2983945 | biostudies-literature

1-Benzoyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetra-zine.

Project description:In the title compound, C(21)H(16)N(4)O, the central tetra-zine ring adopts an unsymmetrical boat conformation with the two N atoms as the bow and stern. The crystal packing is stabilized by inter-molecular N-H-O hydrogen bonds.

| S-EPMC2983408 | biostudies-literature

3,6-Di-4-pyridyl-1,4-dihydro-1,2,4,5-tetra-zine.

Project description:The mol-ecule of the title compound, C(12)H(10)N(6), which is V-shaped due to the boat conformation of the dihydro-tetra-zine ring, has crystallographic C(2) symmetry. The dihedral angle between the planes of the two pyridine rings is 31.57 (3)°. Mol-ecules are linked by weak N-H⋯N and C-H⋯N hydrogen bonds, forming a two-dimensional polymeric structure.

| S-EPMC2961757 | biostudies-literature

Diethyl 1,4-bis-(4-nitro-phen-yl)-1,4-dihydro-1,2,4,5-tetra-zine-3,6-dicarboxyl-ate.

Project description:The complete mol-ecule of the title compound, C(20)H(18)N(6)O(8), is generated by a crystallographic twofold axis. The dihedral angle between the nitrobenzene rings is 43.5 (2)°. The central six-membered ring exhibits a boat conformation. In the crystal structure, weak inter-molecular C-H⋯O inter-actions are observed.

| S-EPMC2979708 | biostudies-literature

3-Phenyl-6-(2-pyrid-yl)-1,2,4,5-tetra-zine.

Project description:The title compound, C(13)H(9)N(5), is the first asymmetric diaryl-1,2,4,5-tetra-zine to be crystallographically characterized. We have been inter-ested in this motif for incorporation into supra-molecular assemblies based on coordination chemistry. The solid state structure shows a centrosymmetric mol-ecule, forcing a positional disorder of the terminal phenyl and pyridyl rings. The mol-ecule is completely planar, unusual for aromatic rings with N atoms in adjacent ortho positions. The stacking observed is very common in diaryl-tetra-zines and is dominated by π stacking [centroid-to-centroid distance between the tetrazine ring and the aromatic ring of an adjacent molecule is 3.6 Å, perpendicular (centroid-to-plane) distance of about 3.3 Å].

| S-EPMC2914999 | biostudies-literature

N(1),N(4),3,6-Tetra-methyl-1,2,4,5-tetra-zine-1,4-dicarboxamide.

Project description:The asymmetric unit of the title compound, C(8)H(14)N(6)O(2), contains two independent mol-ecules. In one mol-ecule, the amide-substituted N atoms of the tetra-zine ring deviate from the plane [maximum deviation = 0.028?(1)?Å] through the four other atoms in the ring by 0.350?(2) and 0.344?(2)?Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 10.46?(13) and 20.41?(12)° with the four approximtely planar atoms in the tetra-zine ring. In the other mol-ecule, the amide-substituted N atoms of the tetra-zine ring deviate from the plane [maximum deviation = 0.033?(1)?Å] through the four other atoms in the ring by 0.324?(2) and 0.307?(2)?Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 14.66?(11) and 17.08?(10)° with the four approximately planar atoms of the tetra-zine ring. In the crystal, N-H?O hydrogen bonds connect mol-ecules to form a two-dimensional network parallel to (1-1-1). Intra-molecular N-H?N hydrogen bonds are observed.

| S-EPMC3379411 | biostudies-literature

3,6-Diacetyl-1,4-diphenyl-1,4-dihydro-1,2,4,5-tetra-zine.

Project description:In the title compound, C(18)H(16)N(4)O(2), the central six-membered ring has a boat conformation.

| S-EPMC2960815 | biostudies-other

3,6-Bis(4-chloro-phen-yl)-N,N-bis-(1-phenyl-eth-yl)-1,2,4,5-tetra-zine-1,4-di-carboxamide.

Project description:In the title mol-ecule, C(32)H(28)Cl(2)N(6)O(2), the amide-substituted N atoms of the tetra-zine ring deviate from the approximate plane of the four other atoms in the ring by 0.468?(3) and 0.484?(3)?Å, forming a boat conformation. The dihedral angle between the two phenyl rings is 67.0?(1)° and that between the two chloro-substituted benzene rings is 73.8?(1)°. Two intra-molecular N-H?N hydrogen bonds are observed.

| S-EPMC3297322 | biostudies-literature

1-[3-(4-Chloro-phen-yl)-6-methyl-1,6-di-hydro-1,2,4,5-tetra-zin-1-yl]ethanone.

Project description:In the title compound, C(11)H(11)ClN(4)O, the tetra-zine ring adopts a non-symmetrical boat conformation. The crystal packing exhibits relatively short inter-molecular C?N contacts of 3.118?(3)?Å.

| S-EPMC2983429 | 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