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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

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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

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-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-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

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