Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis(2,6-diisopropyl-phen-yl)-3,6-di-methyl-1,2,4,5-tetra-zine-1,4-dicarboxamide.

ABSTRACT: In the title mol-ecule, C(30)H(42)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 0.457?(3) and 0.463?(3)?Å, forming a boat conformation. The two benzene rings form a dihedral angle of 47.69?(9)°. Intra-molecular N-H?N and weak C-H?O hydrogen bonds are observed.

SUBMITTER: Sun NB

PROVIDER: S-EPMC3379227 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N,N'-Bis(2,6-diisopropyl-phen-yl)-3,6-di-methyl-1,2,4,5-tetra-zine-1,4-dicarboxamide.

Sun Na-Bo NB Rao Guo-Wu GW Zhang Li-Ling LL

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

In the title mol-ecule, C(30)H(42)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 0.457 (3) and 0.463 (3) Å, forming a boat conformation. The two benzene rings form a dihedral angle of 47.69 (9)°. Intra-molecular N-H⋯N and weak C-H⋯O hydrogen bonds are observed. ...[more]

PMID: 22719425

Similar Datasets

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-Dimethyl-N,N-bis-(pyridin-2-yl)-1,2,4,5-tetra-zine-1,4-dicarboxamide.

Project description:In the title mol-ecule, C(16)H(16)N(8)O(2), four atoms of the tetra-zine ring are coplanar, with the largest deviation from the plane being 0.0236?(12)?Å; the other two atoms of the tetra-zine ring deviate on the same side from this plane by 0.320?(4) and 0.335?(4)?Å. Therefore, the central tetra-zine ring exhibits a boat conformation. The dihedral angles between the mean plane of the four coplanar atoms of the tetrazine ring and the two pyridine rings are 26.22?(10) and 6.97?(5)°. The two pyridine rings form a dihedral angle of 31.27?(8)°. In the molecule, there are a number of short C-H?O interactions. In the crystal, molecules are linked via a C-H?O interaction to form zigzag chains propagating along the [010] direction.

| S-EPMC3295480 | biostudies-literature

(3,6-Dimethyl-1,2,4,5-tetra-zine-1,4-di-yl)bis-[(morpholin-4-yl)methanone].

Project description:In the title mol-ecule, C(14)H(22)N(6)O(4), the amide-substituted N atoms of the tetra-zine ring deviate from the approximate plane of the four other atoms in the ring by 0.160?(2) and 0.243?(2)?Å, forming a slight boat conformation. The morpholine rings are in chair conformations.

| S-EPMC3295465 | 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-other

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

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

4,4'-(1,2,4,5-Tetra-zine-3,6-di-yl)dibenzo-nitrile.

Project description:Mol-ecules of the title compound, C(16)H(8)N(6), lie on crystallographic inversion centres. A dihedral angle of 16.1 (1)° is formed between the central tetra-zine ring and the plane of each cyano-phenyl group. The mol-ecules form stacks along [100] with a perpendicular inter-planar separation of 3.25 (1) Å. C-H⋯N inter-actions are formed between mol-ecules in neighbouring stacks.

| S-EPMC2968976 | biostudies-literature

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

3,6-Dimethyl-N,N-bis-(1-phenyl-eth-yl)-1,4-dihydro-1,2,4,5-tetra-zine-1,4-dicarboxamide.

Project description:In the title mol-ecule, C(22)H(26)N(6)O(2), the central tetra-zine ring exhibits a boat conformation, and the two phenyl rings form a dihedral angle of 88.39?(6)°. In the crystal, weak N-H?O and C-H?O hydrogen bonds link mol-ecules into layers parallel to the ab plane.

| S-EPMC3275185 | biostudies-other

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