Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diethyl pyrazine-2,5-dicarboxyl-ate.

ABSTRACT: The mol-ecule of the title compound, C(10)H(12)N(2)O(4), is located around an inversion center. The carboxyl-ate groups are twisted slightly with respect to the pyrazine ring, making a dihedral angle of 2.76?(19)°. In the crystal, mol-ecules are stacked along the c axis via weak C-H?O hydrogen bonds.

SUBMITTER: Li CH

PROVIDER: S-EPMC3394027 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diethyl pyrazine-2,5-dicarboxyl-ate.

Li Chuan-Hui CH Wu Wen-Shi WS Huang Yu-Min YM

Acta crystallographica. Section E, Structure reports online 20120627 Pt 7

The mol-ecule of the title compound, C(10)H(12)N(2)O(4), is located around an inversion center. The carboxyl-ate groups are twisted slightly with respect to the pyrazine ring, making a dihedral angle of 2.76 (19)°. In the crystal, mol-ecules are stacked along the c axis via weak C-H⋯O hydrogen bonds. ...[more]

PMID: 22798892

Similar Datasets

Diisopropyl pyrazine-2,5-dicarboxyl-ate.

Project description:The mol-ecule of the title compound, C(12)H(16)N(2)O(4), is located on an inversion center. The carboxyl-ate groups are twisted slightly with respect to the pyrazine ring, making a dihedral angle of 6.4 (3)°.

| S-EPMC3007933 | biostudies-literature

Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate.

Project description:In the title compound, C(22)H(20)O(5), the substituted benzene rings are twisted away from the furan ring, making dihedral angles of 54.91?(14) and 20.96?(15)° with the furan ring. The dihedral angle between the two benzene rings is 46.89?(13)°. One ethyl group of one eth-oxy-carbonyl unit is disordered over two sets of sites with occupancies of 0.56?(12) and 0.44?(12). In the crystal, weak intra-molecular C-H?O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3011628 | biostudies-literature

Diethyl 3,4-dimethyl-thieno[2,3-b]thio-phene-2,5-dicarboxyl-ate.

Project description:In the title compound, C14H16O4S2, the thieno[2,3-b]thio-phene ring systems are planar [maximum deviation = 0.008 (2) Å]. The mol-ecular conformation is stabilized by intra-molecular C-H⋯O hydrogen bonds, while the crystal packing is stabilized by C-H⋯O, C-H⋯π and π-π stacking [centroid-centroid distance = 3.6605 (14) Å] inter-actions, which lead to supra-molecular layers in the ab plane.

| S-EPMC3588935 | biostudies-literature

Diethyl 2,5-bis-[(E)-2-furylmethyl-ene-amino]thio-phene-3,4-dicarboxyl-ate.

Project description:The title compound, C(20)H(18)N(2)O(6)S, crystallizes as two independent mol-ecules that are disposed about a pseudo-inversion center (1/2, 1/4, 1/8). The mean planes of the two terminal furyl rings are twisted with respect to the central thio-phene ring by 7.33 (4) and 21.74 (5)° in one mol-ecule, and by 6.91 (4) and 39.80 (6)° in the other.

| S-EPMC2960980 | biostudies-literature

Diethyl 3,4-bis(acetoxy-meth-yl)thieno[2,3-b]thio-phene-2,5-dicarboxyl-ate.

Project description:In the title compound, C(18)H(20)O(8)S(2), the dihedral angle between the two thio-phene rings is 2.33?(7)°. The methyl C atoms of the ester groups are disordered over two positions; the site-occupancy factors of the terminal methyl C atoms are 0.632?(18):0.368?(18) and 0.623?(17):0.377?(17). The mol-ecular structure is stabilized by weak intra-molecular C-H?O inter-actions and the crystal structure is stabilized through weak inter-molecular C-H?O inter-actions.

| S-EPMC2970297 | biostudies-literature

Diethyl indolizine-1,3-dicarboxyl-ate.

Project description:The title compound, C(14)H(15)NO(4), was prepared by a 1,3-dipolar cyclo-addition from N-(eth-oxy-carbonyl-methy)pyridinium bromide and ethyl acrylate. The -CO(2) side chains form dihedral angles of 0.2?(3) and 2.4?(3)° with respect to the ring system. In the crystal, two neighbouring mol-ecules form a dimer through weak C-H?O interactions. The dimers form a three-dimensional structure via further weak C-H?O inter-actions.

| S-EPMC3050233 | biostudies-literature

3?,6?-Bis(ethoxy-carbon-yl)glycoluril (diethyl 2,5-dioxoperhydro-imidazo[4,5-d]imidazole-3a,6a-dicarboxyl-ate).

Project description:The title compound, C(10)H(14)N(4)O(6), crystallizes with two independent mol-ecules in the asymmetric unit. An extensive network of N-H?O and C-H?O inter-molecular hydrogen bonds stabilizes the crystal packing. One ethyl group is disordered over two positions; the site occupancy factors are 0.68 and 0.32.

| S-EPMC2915195 | biostudies-literature

Dimethyl 3,5-diethyl-1H-pyrrole-2,4-dicarboxyl-ate.

Project description:The title pyrrole derivative, C(12)H(17)NO(4), consists of a pyrrole ring with two diagonally attached meth-oxy-carbonyl groups and two diagonally attached ethyl groups. The two carbonyl groups are approximately in the same plane as the pyrrole ring, making dihedral angles of 3.50?(19) and 6.70?(19)°. In the crystal, adjacent mol-ecules are assembled into dimers in a head-to-head mode by pairs of inter-molecular N-H?O hydrogen bonds.

| S-EPMC3213539 | biostudies-literature

Poly[di-?-aqua-?(4)-(pyrazine-2,5-dicarboxyl-ato)-dilithium(I)].

Project description:In the title coordination polymer, [Li(2)(C(6)H(2)N(2)O(2))(H(2)O)(2)](n) the pyrazine-2,5-dicarboxyl-ate dianionic ligand bridges two symmetry-independent Li(+) ions using both its N,O-chelating sites. The carboxyl-ate O atom of one of them also bridges to another Li(+) ion, while the second O atom of this group is bonded to another Li(+) ion. Two symmetry-independent water O atoms participate also in the bridging system, which gives rise to a polymeric three-dimensional framework. Both Li(+) ions show distorted trigonal-bipyramidal LiNO(4) coordination geometries, with the N atom in an axial site in both cases. The packing is consolidated by O-H?O hydrogen bonds, which occur between water mol-ecules as donors and carboxyl-ate O atoms as acceptors.

| S-EPMC3050281 | biostudies-literature

Diethyl 3H-naphtho[2,1-b]pyran-2,3-dicarboxyl-ate.

Project description:The sp(3)-hybridized methine C atom in the title compound, C(19)H(18)O(5), lies out of the mean plane of the remaining 13 atoms of the naphthopyran fused-ring system by 0.571?(1)?Å, and its H atom occupies a pseudo-equatorial site.

| S-EPMC2968793 | 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