Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-[(2-Formyl-thio-phen-3-yl)(hy-droxy)meth-yl]thio-phene-2-carbaldehyde.

ABSTRACT: In the title compound, C(11)H(8)O(3)S(2), the dihedral angle between the mean planes of the two thio-phene rings is 65.10?(10)°. Intra-molecular C-H?O inter-actions form S(6) and S(7) ring motifs. In the crystal, chains along the a axis are formed by C-H?O inter-actions. Adjacent chains are connected into a three-dimensional network by C-H?O and O-H?O inter-actions.

SUBMITTER: Sun L

PROVIDER: S-EPMC3254520 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-[(2-Formyl-thio-phen-3-yl)(hy-droxy)meth-yl]thio-phene-2-carbaldehyde.

Sun Lili L Li Guijuan G Su Qing Q

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(11)H(8)O(3)S(2), the dihedral angle between the mean planes of the two thio-phene rings is 65.10 (10)°. Intra-molecular C-H⋯O inter-actions form S(6) and S(7) ring motifs. In the crystal, chains along the a axis are formed by C-H⋯O inter-actions. Adjacent chains are connected into a three-dimensional network by C-H⋯O and O-H⋯O inter-actions. ...[more]

PMID: 22259466

Similar Datasets

5-[(2-Hy-droxy-eth-yl)(meth-yl)amino]-thio-phene-2-carbaldehyde.

Project description:In the title compound, C8H11NO2S, the aldehyde group is approximately coplanar with the thio-phene ring [maximum deviation = 0.023 (2) Å]. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds into supra-molecular chains propagating along the a-axis direction.

| S-EPMC4050996 | biostudies-literature

2-[(4-Formyl-phen-yl)(hy-droxy)meth-yl]acrylonitrile.

Project description:In the title compound, C(11)H(9)NO(2), the mean planes formed by the phenyl and acryl group are almost orthogonal to each other, with a dihedral angle of 88.61?(7)°. The carbonitrile side chain is almost linear, the C-C-N angle being 179.54?(16)°. In the crystal, mol-ecules are linked by inter-molecular O-H?O inter-actions into infinite chains running parallel to the b axis.

| S-EPMC3213610 | biostudies-literature

5-{[(E)-2-(4-Iodo-phen-yl)hydrazinyl-idene]meth-yl}thio-phene-2-carbaldehyde.

Project description:The title compound, C(12)H(9)IN(2)OS, has an overall U-shape, with a dihedral angle of 21.4 (3)° between the thio-phene and benzene rings. In the crystal, supra-molecular chains mediated by N-H⋯O hydrogen bonds are formed along the b-axis direction.

| S-EPMC2979975 | biostudies-literature

N'-[1-(2-Hy-droxy-phen-yl)ethyl-idene]thio-phene-2-carbohydrazide.

Project description:The title compound, C(13)H(12)N(2)O(2)S, was prepared by the reaction of 1-(2-hy-droxy-phen-yl)ethanone and thio-phene-2-carbohydrazide. The dihedral angle between the benzene and thio-phene rings is 10.07?(17)°. An intra-molecular O-H?N hydrogen bond may influence the mol-ecular conformation. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains along [010].

| S-EPMC3050207 | biostudies-literature

5-(Hy-droxy-meth-yl)furan-2-carbaldehyde.

Project description:The title compound (HMF), C(6)H(6)O(3), is one of the products of acid-catalyzed dehydration of high-fructose corn syrup, and has been shown to be toxic to honey bees. The compound was crystallized at 276 K, and it was found that the two independent mol-ecules in the asymmetric unit form an infinite O-H⋯O hydrogen-bonding chain that is linked into a three-dimensional network structure by weak inter-molecular C-H⋯O contacts.

| S-EPMC3007883 | biostudies-literature

1-(2-Hy-droxy-eth-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(10)H(14)N(2)O(3)S, the 3-meth-oxy-phenyl unit is almost planar, with an r.m.s. deviation of 0.013 Å. The dihedral angle between the benzene ring and the plane of the thio-urea unit is 62.57 (4)°. In the crystal, N-H⋯O and O-H⋯S hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2983277 | biostudies-literature

3,4-Dinitro-2,5-bis-[4-(trifluoro-meth-yl)phen-yl]thio-phene.

Project description:The title compound, C(18)H(8)F(6)N(2)O(4)S, is a precursor for the production of low-band-gap conjugated polymers. In the crystal structure, the dihedral angles between the thio-phene and benzene rings are 35.90?(8) and 61.94?(8)°, and that between the two benzene rings is 40.18?(8)°. The two nitro groups are twisted with respect to the thio-phene ring, the dihedral angles being 53.66?(10) and 31.63?(10)°. Weak inter-molecular C-H?O hydrogen bonding helps to stabilize the crystal structure.

| S-EPMC2969454 | biostudies-literature

2-(2-Hy-droxy-phen-yl)-1,3-benzothia-zole-6-carbaldehyde.

Project description:The mol-ecule of the title compound, C(14)H(9)NO(2)S, is nearly planar, the maximum atomic deviation being 0.081 (2) Å. An intra-molecular O-H⋯N bond generates an S(6) ring motif. In the crystal, inversion-related mol-ecules linked by a pair of weak C-H⋯O hydrogen bonds form a supra-molecular dimer. π-π stacking is observed between the thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7679 (9) Å.

| S-EPMC3247597 | biostudies-literature

2-((E)-{[4-(Hy-droxy-meth-yl)phen-yl]imino}-meth-yl)phenol.

Project description:The title compound, C(14)H(13)NO(2), adopts the enol-imine tautomeric form, with an intra-molecular O-H?N hydrogen bond which generates an S(6) ring motif. The dihedral angle between the aromatic rings is 7.85?(7)°. The crystal structure is stabilized by O-H?O, O-H?N and C-H?O hydrogen bonds, forming a two-dimensional array that stacks along the a axis. In addition, a C-H?? inter-action contributes to the stabilization of the crystal packing.

| S-EPMC3379224 | biostudies-literature

2-[(2-Chloro-phen-yl)(hy-droxy)meth-yl]phenol.

Project description:In the title compound, C13H11ClO2, the dihedral angle between the mean planes of the 2-chloro-phenyl and phenol rings is 87.4 (9)°. The methyl hy-droxy group lies nearly perpendicular to the plane of its attached benzene ring [O-C-C-C torsion angle = 84.3 (3)°]. The two hy-droxy groups lie on the same side of the mol-ecule and are in a slightly twisted gauche conformation [O-C-C-O torsion angle = 77.1 (8)°] to each other. In the crystal, O-H⋯O hydrogen bonds between nearby methyl-hydroxy groups form dimers in alternating pairs aligned diagonally along the b axis. A view along the c axis reveals a hexa-meric aggregate mediated by a ring of six O-H⋯O hydrogen bonds generating an R 6 (6)(12) motif loop.

| S-EPMC3793743 | 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