Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,5-Dimethyl-1-phenyl-sulfonyl-1H-pyrrole-3,4-dicarbaldehyde.

ABSTRACT: In the title compound, C(14)H(13)NO(4)S, the mean planes of the pyrrole and phenyl rings form a dihedral angle of 88.7?(1)°. The aldehyde groups are slightly twisted from the pyrrole plane. In the crystal structure, mol-ecules are linked into a three-dimensional framework by C-H?O hydrogen bonds.

SUBMITTER: Seshadri PR

PROVIDER: S-EPMC2968504 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,5-Dimethyl-1-phenyl-sulfonyl-1H-pyrrole-3,4-dicarbaldehyde.

Seshadri P R PR Balakrishnan B B Ilangovan K K Sureshbabu R R Mohanakrishnan A K AK

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

In the title compound, C(14)H(13)NO(4)S, the mean planes of the pyrrole and phenyl rings form a dihedral angle of 88.7 (1)°. The aldehyde groups are slightly twisted from the pyrrole plane. In the crystal structure, mol-ecules are linked into a three-dimensional framework by C-H⋯O hydrogen bonds. ...[more]

PMID: 21582192

Similar Datasets

3,4-Dibromo-2,5-dimethyl-1-phenyl-sulfonyl-1H-pyrrole.

Project description:In the title compound, C(12)H(11)Br(2)NO(2)S, the dihedral angle between the two rings is 78.79?(12)°. The crystal packing features C-H?? inter-actions.

| S-EPMC3200873 | biostudies-other

3,4-Dibromo-2,5-bis-[(dieth-oxy-phosphor-yl)meth-yl]-1-phenyl-sulfonyl-1H-pyrrole.

Project description:In the title compound, C(20)H(29)Br(2)NO(8)P(2)S, the pyrrole ring is essentially planar, with a maximum deviation of 0.013 (3) Å for a C atom. The pyrrole ring is almost orthogonal to the sulfonyl-bound phenyl ring, with a dihedral angle 88.5 (2)°. Both P atoms exhibit distorted tetra-hedral configurations with O-P-O angles widened and O-P-C angles narrowed from the ideal tetra-hedral value. In the crystal, mol-ecules are linked into centrosymmetric dimers via C-H⋯O inter-actions, resulting in R(2) (2)(10) graph-set motifs which are further consolidated by R(2) (2)(13) graph-set ring motifs via C-H⋯O inter-actions, further resulting in chains of mol-ecules running parallel to the c axis; a phosphono O atom is involved in bifurcated hydrogen bonding. All the eth-oxy groups are disordered over two positions each with unequal site-occupancy factors.

| S-EPMC3200636 | biostudies-literature

Ethyl 5-[(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-3,4-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:In the title compound, C(21)H(24)N(4)O(3), the mol-ecule has an E configuration about the imine C=N double bond. Inter-molecular N-H?O hydrogen bonds assemble mol-ecules into centrosymmetric dimers.

| S-EPMC2977180 | biostudies-literature

2,5-Dimethyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(16)H(14)O(3)S, was prepared by the oxidation of 2,5-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.98 (9)° with the plane of the benzofuran fragment. The crystal structure is stabilized by π-π inter-actions between furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.775 (4) Å]. In addition, the crystal structure exhibits intra- and inter-molecular C-H⋯O inter-actions.

| S-EPMC2961094 | biostudies-literature

Tetra-ethyl 1,1'-(ethane-1,2-di-yl)bis-(2,5-dimethyl-1H-pyrrole-3,4-dicarboxyl-ate).

Project description:The asymmetric unit of the title compound, C(26)H(36)N(2)O(8), comprises two independent mol-ecules. In each mol-ecule, the two pyrrole rings are linked by a -CH(2)CH(2)- bridge, with dihedral angles between the two pyrrole rings of 14.5?(3) and 16.4?(3)° in the two mol-ecules. Each pyrrole ring carries 2- and 5-methyl substituents and eth-oxy-carbonyl groups at the 3- and 5-positions.

| S-EPMC3011439 | biostudies-literature

Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:The non-H atoms of the title compound, C(9)H(13)NO(2), are almost coplanar (r.m.s. deviation = 0.0358 Å). Weak inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the b axis with graph-set motif C(5). The chains are further linked into a three-dimensional network by C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC3008020 | biostudies-literature

3,4-Bis(4-meth-oxy-phen-yl)-2,5-dihydro-1H-pyrrole-2,5-dione.

Project description:In the title compound, C(18)H(15)NO(4), the benzene rings form quite different dihedral angles [16.07 (1) and 59.50 (1)°] with the central pyrrole ring, indicating a twisted mol-ecule. Conjugation is indicated between the five- and six-membered rings by the lengths of the C-C bonds which link them [1.462 (3) and 1.477 (3) Å]. The most prominent feature of the crystal packing is the formation of inversion dimers via eight-membered {⋯HNCO}(2) synthons.

| S-EPMC3344467 | biostudies-literature

Ethyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxyl-ate.

Project description:The mol-ecule of the title compound, C(10)H(13)NO(3), is approximately planar (maximum deviation 0.1424?Å). In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?O hydrogen bonds, and the dimeric units are linked by non-classical C-H?O hydrogen bonds, forming a layered structure.

| S-EPMC2969404 | biostudies-literature

3,4-Bis[1-(prop-2-yn-yl)-1H-indol-3-yl]-1H-pyrrole-2,5-dione.

Project description:In the title mol-ecule, C26H17N3O2, both indole ring systems are essentially planar, with maximum deviations of 0.019 (2) and 0.033 (1) Å for the N atoms, and form dihedral angles of 34.40 (9) and 45.06 (8)° with the essentially planar pyrrole ring [maximum deviation = 0.020 (2) Å]. The dihedral angle between the two indole ring systems is 58.78 (6)°. In the crystal, mol-ecules are connected by pairs of N-H⋯O hydrogen bonds, forming inversion dimers and generating R 2 (2)(8) rings. Weak π-π stacking inter-actions, with a centroid-centroid distance of 3.983 (2) Å, are also observed.

| S-EPMC3685074 | biostudies-literature

Ethyl 3,4-dimethyl-5-[(E)-(phenyl-imino)-meth-yl]-1H-pyrrole-2-carboxyl-ate.

Project description:In the title compound, C(16)H(18)N(2)O(2), the mol-ecule adopts an E conformation about the C=N double bond. The dihedral angle between the pyrrole and phenyl rings is 41.55?(8)°. In the crystal structure, pairs of inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. In the dimer, the two pyrrole rings are almost coplanar and the two phenyl rings are parallel to each other.

| S-EPMC3006869 | biostudies-other

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