Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC2968793 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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 2,3-dihydro-thieno[3,4-b]-1,4-dioxine-5,7-dicarboxyl-ate.

Project description:The title compound, C(12)H(14)O(6)S, is a dicarboxylic acid diethyl ester of 3,4-ethyl-enedioxy-thio-phene, which is a component of electrically conductive poly(3,4-ethyl-enedioxy-thio-phene) (PEDOT). The ethyl-ene group is disordered over two sites with occupancy factors 0.64 and 0.36. Both the carbonyl groups are coplanar with the thio-phene ring. The mol-ecules form centrosymmetric dimers with an R(2) (2)(12) coupling by inter-molecular C-H⋯O hydrogen bonds [3.333 (5) Å] at the ethoxy-carbonyl groups. The dimer units are arranged to form a ribbon-like mol-ecular sheet.

| S-EPMC2960460 | biostudies-literature

2'-Eth-oxy-1,3,3-trimethyl-spiro-[indoline-2,3'-3H-naphtho-[2,1-b][1,4]oxazine].

Project description:In the title compound, C(24)H(24)N(2)O(2), the five-membered ring of the indoline ring system adopts an envelope conformation with the spiro C atom at the flap. The dihedral angle between the benzene ring of the indoline ring system and the naphthalene ring system is 71.70 (7)°. In the crystal structure, pair of weak C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC3006916 | 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

Diethyl pyrazine-2,5-dicarboxyl-ate.

Project description: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.

| S-EPMC3394027 | 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

Crystal structure of 3-(4-meth-oxy-phen-yl)-2,3-di-hydro-1H-naphtho-[2,1-b]pyran-1-one.

Project description:In the title compound, C20H16O3, the hydro-pyran ring adopts a distorted half-chair conformation with the methine C atom and the ring O atom displaced by -0.554?(2) and 0.158?(1)?Å, respectively, from the plane of the other four atoms (r.m.s. deviation = 0.020?Å). Its mean plane (all atoms) is inclined to the naphthalene ring system at a dihedral angle of 11.67?(1)°. The dihedral angle between the napthalene ring system and the phenyl ring is 71.84?(1)°. In the crystal, no diectional inter-actions beyond van der Waals contacts could be identified.

| S-EPMC4420115 | 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

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

Diethyl 1-benzyl-2,2-dioxo-4-phenyl-3,4,6,7,8,8a-hexa-hydro-1H-pyrrolo-[2,1-c][1,4]thia-zine-1,3-dicarboxyl-ate.

Project description:In the title compound, C(26)H(31)NO(6)S, the five-membered pyrrolidine ring adopts an envelope conformation and the six-membered thia-zine ring is in a distorted chair conformation. The crystal packing is stabilized through an inter-molecular C-H⋯O inter-action, generating inversion-related R(2) (2)(10) ring motifs.

| S-EPMC3200855 | 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