Browse
Submit Data
Databases
API
Help

Dataset Information

7 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(Methyl-sulfon-yl)benzaldehyde.

ABSTRACT: In the crystal of the title compound, C(8)H(8)O(3)S, the mol-ecules are linked into a three-dimensional array by inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Qian SS

PROVIDER: S-EPMC2972089 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

4-(Methyl-sulfon-yl)benzaldehyde.

Qian Shao-Song SS Cui Hong-You HY

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

In the crystal of the title compound, C(8)H(8)O(3)S, the mol-ecules are linked into a three-dimensional array by inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21578765

Similar Datasets

Methyl 2-[(methyl-sulfon-yl)(prop-yl)amino]benzoate.

Project description:The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol-ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581?(6):0.419?(6). Intra-molecular C-H?O inter-actions help to establish the mol-ecular conformations: in one mol-ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0?(2)°, whereas in the other mol-ecule it is 36.12?(17)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC2980136 | biostudies-literature

N-(2-Formyl-phen-yl)-4-methyl-N-[(4-methyl-phen-yl)sulfon-yl]benzene-sulfon-amide.

Project description:In the title compound, C21H19NO5S2, the dihedral angles between the formyl-phenyl ring and the two methyl-phenyl rings are 29.3?(3) and 28.9?(3)°, respectively; the dihedral angle between the methyl-phenyl rings is 48.4?(2)°. The C-N-S-C torsion angles are -74.1?(2) and -105.4?(2)°. In the crystal, molecules are linked by pairs of C-H?O hydrogen bonds, forming inversion dimers.

| S-EPMC4051026 | biostudies-literature

Bis(methyl-sulfon-yl)methane.

Project description:In the title compound, C3H8O4S2, the two central S-C(H2) bond lengths are almost identical [1.781?(2) and 1.789?(2)?Å]. In the crystal, each mol-ecule utilizes CH2 and CH3 bonds to form weak C-H?O hydrogen bonds to six other mol-ecules, thus linking mol-ecules into a three-dimensional network.

| S-EPMC4158514 | biostudies-literature

2-Methyl-3-[(4-methyl-phen-yl)sulfon-yl-oxy]-2-{[(4-methyl-phen-yl)sulfon-yloxy]meth-yl}propyl 4-methyl-benzene-sulfonate.

Project description:The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32?(10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28?(10) and 78.81?(7)°]. The crystal packing is dominated by C-H?O contacts and ?-? inter-actions [ring centroid distance = 3.6902?(12)?Å].

| S-EPMC3152050 | biostudies-literature

Methyl 4-{[(4-methyl-phen-yl)sulfon-yl]amino}-benzoate.

Project description:In the mol-ecule of the title compound, C(15)H(15)NO(4)S, the dihedral angle between the two rings is 88.05?(7)°. The methyl ester group is nearly coplanar with the adjacent ring [dihedral angle = 2.81?(10)°], whereas it is oriented at 86.90?(9)° with respect to the plane of the ring attached to the -SO(2)- group. Weak intra-molecular C-H?O hydrogen bonding completes S(5) and S(6) ring motifs. The mol-ecules form one-dimensional polymeric C(8) chains along the [010] direction due to N-H?O hydrogen bonding and these chains are linked by C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3295455 | biostudies-literature

2-[4-(Methyl-sulfon-yl)phen-yl]acetonitrile.

Project description:In the title compound, C(9)H(9)NO(2)S, the benzene ring and the acetonitrile group are approximately coplanar, with a C-C-C-C torsion angle of 1.1?(3)° between them. In the crystal, mol-ecules are linked via inter-molecular C-H?O hydrogen bonds into layers parallel to (001).

| S-EPMC3052001 | biostudies-literature

N-[(4-Methyl-phen-yl)sulfon-yl]acetamide.

Project description:In the title compound, C(9)H(11)NO(3)S, the dihedral angle between the benzene ring and the amide group is 76.7?(3)°. In the crystal, mol-ecules are linked by pairs of C-H?O hydrogen bonds into inversion dimers with R(2) (2)(8) ring motifs. The dimers are further connected by N-H?O and C-H?O hydrogen bonds into an infinite tape running parallel to the b-axis direction.

| S-EPMC3393294 | biostudies-literature

[4-(Methyl-sulfon-yl)phen-yl]acetic acid.

Project description:In the crystal structure of the title compound, C(9)H(10)O(4)S, centrosymmetrically related mol-ecules are linked into dimers by inter-molecular O-H?O hydrogen bonds. Unconventional C-H?O hydrogen-bond inter-actions are also present, connecting dimers into a three-dimensional network.

| S-EPMC2960061 | biostudies-literature

Methyl 5-bromo-2-[meth-yl(methyl-sulfon-yl)amino]benzoate.

Project description:The title compound, C(10)H(12)BrNO(4)S, is an inter-mediate in the synthesis of benzothia-zine. The planar methyl ester group (maximum deviation is 0.0065?Å) is oriented at a dihedral angle of 39.09?(13)° with respect to the aromatic ring. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into centrosymmetric dimers, through R(2) (2)(10) ring motifs.

| S-EPMC2977655 | biostudies-literature

N-(2-Nitro-phenyl-sulfon-yl)-N-(4-nitro-phenyl-sulfon-yl)methyl-amine.

Project description:In the crystal structure of the title compound, C(13)H(11)N(3)O(8)S(2), mol-ecules are linked by inter-molecular C-H?O hydrogen bonds into zigzag chains running parallel to the c axis. Centrosymmetrically related chains are further stabilized by aromatic ?-? stacking inter-actions [centroid-centroid distance = 3.749?(3)?Å] involving adjacent 4-nitro-benzene rings. Intra-molecular C-H?O hydrogen bonds are also present.

| S-EPMC2959441 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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