Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(Z)-2-[(4-Methyl-phen-yl)sulfon-yl]-1,2-diphenyl-ethene-selenol.

ABSTRACT: In the title compound, C(21)H(18)O(2)SSe, the dihedral angle between the cis phenyl rings is 64.3?(1)° and those between the toluene and the phenyl rings are 21.1?(2) and 72.0?(1)°, respectively. An intra-molecular Se-H?O hydrogen bond occurs. In the crystal, mol-ecules are connected by C-H?O hydrogen bonds and weak C-H?? inter-actions help to consolidate the crystal packing.

SUBMITTER: Natarajan S

PROVIDER: S-EPMC3275197 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

(Z)-2-[(4-Methyl-phen-yl)sulfon-yl]-1,2-diphenyl-ethene-selenol.

Natarajan Sampath S Mathews Rita R

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the title compound, C(21)H(18)O(2)SSe, the dihedral angle between the cis phenyl rings is 64.3 (1)° and those between the toluene and the phenyl rings are 21.1 (2) and 72.0 (1)°, respectively. An intra-molecular Se-H⋯O hydrogen bond occurs. In the crystal, mol-ecules are connected by C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions help to consolidate the crystal packing. ...[more]

PMID: 22347053

Similar Datasets

(E)-1,2-Bis(3-bromo-4-methyl-phen-yl)ethene.

Project description:In the structure of the title compound, C(16)H(14)Br(2), the central C=C bond length is 1.329 (4) Å and the two benzene rings are approximately coplanar with the double bond, with twist angles of 7.5 (2) and 13.6 (2)°.

| S-EPMC2960391 | biostudies-literature

trans-(Ethene-1,2-di-yl)bis-(diphenyl-phosphine selenide).

Project description:In the title mol-ecule, C(26)H(22)P(2)Se(2), both P atoms have distorted tetra-hedral environments, resulting in effective cone angles of 177 and 174°. Inversion twinning was detected and refined to a ratio of 0.35:0.65. Weak inter-molecular C-H?Se inter-actions are observed.

| S-EPMC3254404 | 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

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

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

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

5-(4-Methyl-phen-yl)-2,3-diphenyl-5,6-dihydro-imidazo[1,2-c]quinazoline.

Project description:In the title compound, C(29)H(23)N(3), the pyrimidine ring adopts an envelope conformation. The dihedral angle between the phenyl rings attached to the pyrimidine-ring double bond is 62.09?(7)°. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming extended chains in the c-axis direction.

| S-EPMC3009266 | biostudies-literature

(E)-1-[4-(Methyl-sulfan-yl)phen-yl]-2-(2,3,4-trimeth-oxy-phen-yl)ethene.

Project description:In the title compound, C(18)H(20)O(3)S, the rings are almost coplanar [inter-ring dihedral angle = 6.6 (2)°]. In the crystal, weak C-H⋯O hydrogen bonds between the meth-oxy groups connect adjacent mol-ecules, giving chains which extend along [001].

| S-EPMC3435821 | 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