Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Methyl-3,5,6-triphenyl-2,3-dihydro-pyrazine.

ABSTRACT: In the title mol-ecule, C(23)H(20)N(2), the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The phenyl ring at position 3 makes dihedral angles of 78.12?(15) and 72.67?(15)°, respectively, with the phenyl rings at positions 5 and 6; the dihedral angle between the phenyl rings at positions 5 and 6 is 67.32?(14)°. A C-H?? inter-action is present in the crystal structure.

SUBMITTER: Anuradha N

PROVIDER: S-EPMC2968533 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Methyl-3,5,6-triphenyl-2,3-dihydro-pyrazine.

Anuradha N N Thiruvalluvar A A Pandiarajan K K Chitra S S Butcher R J RJ

Acta crystallographica. Section E, Structure reports online 20090218 Pt 3

In the title mol-ecule, C(23)H(20)N(2), the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The phenyl ring at position 3 makes dihedral angles of 78.12 (15) and 72.67 (15)°, respectively, with the phenyl rings at positions 5 and 6; the dihedral angle between the phenyl rings at positions 5 and 6 is 67.32 (14)°. A C-H⋯π inter-action is present in the crystal structure. ...[more]

PMID: 21582205

Similar Datasets

2-Ethyl-3,5,6-triphenyl-pyrazine.

Project description:In the title mol-ecule, C(24)H(20)N(2), the pyrazine ring is significantly distorted from planarity, presumably due to steric crowding, and its conformation is well described as a flattened twist-boat. The benzene ring adjacent to the ethyl group forms dihedral angles of 53.79?(13) and 85.47?(12)° with the other benzene rings; the dihedral angle between adjacent benzene rings is 57.90?(12)°. The ethyl group is disordered over two positions; the site-occupancy factor of the major component is 0.546?(4). No hydrogen bonds are found in the crystal structure.

| S-EPMC3470362 | biostudies-literature

5,6-Di-2-thienyl-2,3-dihydro-pyrazine.

Project description:In the title compound, C(12)H(10)N(2)S(2), which was synthesized by the reaction of 2,2'-thenil and ethyl-enediamine, the dihedral angle between the two thio-phene rings is 66.33?(9)°. In the crystal structure, inter-molecular C-H?N hydrogen bonds link the mol-ecules into infinite chains along the b axis and weak C-H?? inter-actions may further stabilize the structure.

| S-EPMC2979149 | biostudies-literature

2-Methyl-3-(4-methyl-phen-yl)-5,6-diphenyl-2,3-dihydro-pyrazine.

Project description:In the title mol-ecule, C(24)H(22)N(2), four atoms (N-C-C-N) of the heterocyclic ring, with their attached H atoms, and all atoms of the methyl group, are disordered over two positions; the site-occupancy factor of the major component is 0.713?(6). The major disorder component of the heterocyclic ring adopts a half-chair conformation, with all substituents equatorial. The benzene ring adjacent to the methyl group forms dihedral angles of 79.68?(11) and 80.92?(11)° with the phenyl rings; the dihedral angle between adjacent phenyl rings is 59.10 (11)°. The crystal structure features three C-H?? inter-actions.

| S-EPMC3515189 | biostudies-other

2-(2-Chloro-phen-yl)-3-methyl-5,6-diphenyl-2,3-dihydro-pyrazine.

Project description:In the title mol-ecule, C(23)H(19)ClN(2), the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The benzene ring at position 2 makes dihedral angles of 77.88?(12) and 76.31?(12)° with the phenyl rings at positions 5 and 6, respectively. The dihedral angle between the phenyl rings at positions 5 and 6 is 70.05?(10)°. The Cl atom is disordered over two positions with occupancy factors of 0.946?(5) and 0.054?(5). In the crystal, C-H?? inter-actions are found.

| S-EPMC3201404 | biostudies-other

Methyl pyrido[2,3-b]pyrazine-3-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(9)H(7)N(3)O(2), is composed of two independent mol-ecules. The crystal structure is stabilized by C-H?O and C-H?N hydrogen bonds, forming a three-dimensional network. The crystal structure also features pyrazine-pyrazine ?-? inter-actions [centroid-centroid distance = 3.6994?(5)?Å] and also pyridine-pyrazine ?-? inter-actions [centroid-centroid distance = 3.6374?(5)?Å].

| S-EPMC3247504 | biostudies-literature

2,3,5-Triphenyl-pyrazine.

Project description:In the title mol-ecule, C(22)H(16)N(2), the pyrazine ring deviates very slightly from planarity [maximum deviation 0.044?(3)?Å], tending towards a twist-boat conformation. The phenyl ring at position 3 makes dihedral angles of 64.0?(2) and 45.8?(2)°, respectively, with the phenyl rings at positions 2 and 5. The dihedral angle between the phenyl rings at positions 2 and 5 is 49.7?(2)°. A C-H?? inter-action is found in the crystal structure, but no classical hydrogen bonds form.

| S-EPMC2968030 | biostudies-literature

1-Methyl-2,3-dihydro-1H-benzimidazole-2-selone.

Project description:The title compound C(8)H(8)N(2)Se, is the product of the reaction of 2-chloro-1-methyl-benzimidazole with sodium hydro-selenide. The mol-ecule is almost planar (r.m.s. deviation = 0.041?Å) owing to the presence of the long chain of conjugated bonds (Se=C-NMe-C=C-C=C-C=C-NH). The C=Se bond length [1.838?(2)?Å] corresponds well to those found in the close analogs and indicates its pronounced double-bond character. In the crystal, mol-ecules form helicoidal chains along the b axis by means of N-H?Se hydrogen bonds.

| S-EPMC3344510 | biostudies-literature

4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one monohydrate.

Project description:The seven-membered fused-ring in the title compound, C(10)H(10)N(2)O·H(2)O, adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow). In the crystal, two benzodiazepinone mol-ecules are linked about a center of inversion by diazepine-carbonyl N-H?O hydrogen bonds. The dimers are further linked by water-diazepine O-H?N hydrogen bonds, forming a linear chain.

| S-EPMC2979438 | biostudies-literature

2-Chloro-methyl-2,3-dihydro-thieno[3,4-b][1,4]dioxine.

Project description:In the mol-ecule of the title compound, C(7)H(7)ClO(2)S, the six-membered ring adopts a twisted conformation. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. There is also a weak C-H⋯π inter-action.

| S-EPMC2968817 | biostudies-literature

3,5,6-Trimethyl-thieno[2,3-d]pyrimidin-4(3H)-one.

Project description:In the title compound, C(9)H(10)N(2)OS, the thienopyrimidine ring system is almost planar [greatest deviation from the mean plane = 0.0318 (13) Å for the S atom]. The crystal packing features C-H⋯O hydrogen bonds and π-π stacking inter-actions between inversion-related pairs of mol-ecules with a centroid-centroid distance of 3.530 (3) Å.

| S-EPMC3435752 | 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