Browse
Submit Data
Databases
API
Help

Dataset Information

33 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl (Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-phenyl-prop-2-enoate.

ABSTRACT: In the title compound, C(25)H(23)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 37.2?(1) and 67.0?(1)°, respectively, with the formyl-phenyl and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular C-H?? inter-action. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming a two-dimensional network in the (110) plane in which R(4) (4)(38) ring motifs are generated.

SUBMITTER: Madhanraj R

PROVIDER: S-EPMC3239132 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl (Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-phenyl-prop-2-enoate.

Madhanraj R R Murugavel S S Kannan D D Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

In the title compound, C(25)H(23)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 37.2 (1) and 67.0 (1)°, respectively, with the formyl-phenyl and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯π inter-action. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a two-dimensional network in the (110) plane in which R(4) (4)(38) ring motifs are generated. ...[more]

PMID: 22199980

Similar Datasets

Methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(naphthalen-1-yl)prop-2-enoate.

Project description:In the title compound, C(29)H(25)NO(5)S, the sulfonyl-bound benzene ring forms dihedral angles of 42.1?(1) and 48.5?(1)°, respectively, with the formyl-substituted benzene ring and the naphthalene residue. In the crystal, pairs of C-H?O inter-actions lead to the formation of R(2) (2)(10) inversion dimers, which are linked by further C-H?O inter-actions into supra-molecular tapes running along [100]. The crystal packing is further stabilized by C-H?? inter-actions.

| S-EPMC3275017 | biostudies-literature

Methyl (2Z)-2-({N-[2-(hy-droxy-meth-yl)phen-yl]-4-methyl-benzene-sulfonamido}-meth-yl)-3-phenyl-prop-2-enoate.

Project description:In the title compound, C(25)H(25)NO(5)S, the O atom of the hy-droxy group is disordered over two positions, with occupancies of 0.820?(2) and 0.180?(2). The sulfonyl-bound benzene ring forms dihedral angles of 31.8?(1) and 60.7?(1)°, respectively, with the hy-droxy-methyl-benzene and phenyl rings. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, generating an S(8) ring motif. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

| S-EPMC3275177 | biostudies-literature

Crystal structure of methyl (2Z)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title compound, C26H25NO6S, the S atom shows a distorted tetra-hedral geometry, with O-S-O [119.46?(9)°] and N-S-C [107.16?(7)°] angles deviating from ideal tetra-hedral values, a fact attributed to the Thorpe-Ingold effect. The sulfonyl-bound phenyl ring forms dihedral angles of 41.1?(1) and 83.3?(1)°, respectively, with the formyl-phenyl and phenyl rings. The dihedral angle between formyl-phenyl and phenyl rings is 47.6?(1)°. The crystal packing features C-H?O hydrogen-bond inter-actions.

| S-EPMC4719993 | biostudies-literature

(2Z)-2-{[N-(2-Formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}-3-(4-methyl-phen-yl)prop-2-ene-nitrile.

Project description:In the title compound, C(25)H(22)N(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 36.8?(2) and 81.4?(2)°, respectively, with the formyl-benzene and methyl-benzene rings. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(11) chains along the b axis. The crystal packing is further stabilized by ?-? inter-actions [centroid-centroid distance = 3.927?(2)?Å].

| S-EPMC3344039 | biostudies-literature

(Z)-3-(4-Chloro-phen-yl)-2-{[N-(2-formyl-phen-yl)-4-methyl-benzene-sulfonamido]-meth-yl}prop-2-ene-nitrile.

Project description:In the title compound, C(24)H(19)ClN(2)O(3)S, the sulfonyl-bound benzene ring forms dihedral angles of 38.1?(2) and 81.2?(1)°, respectively, with the formyl benzene and benzene rings. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?O hydrogen bond, which generates an S(5) ring motif. The crystal packing is stabilized by C-H?O hydrogen bonds, which generate C(7) zigzag chains along [010] and R(3) (3)(19) ring motifs along [010]. The crystal packing is further stabilized by C-Cl?? inter-actions [Cl?centroid = 3.456?(2)?Å and C-Cl?centroid = 173.4?(2)°].

| S-EPMC3254413 | biostudies-literature

Methyl (2Z)-2-[(2-formyl-3-methyl-1H-indol-1-yl)meth-yl]-3-(4-meth-oxy-phen-yl)prop-2-enoate.

Project description:In the title indole derivative, C22H21NO4, the dihedral angle between the benzene and pyrrole rings of indole moiety is 1.8 (1)°. The plane of the 4-meth-oxy-phenyl ring is oriented with a dihedral angle of 60.7 (1)° with respect to the plane of the indole moiety. The mol-ecular packing is stabilized by C-H⋯O hydrogen bonds which form a V-shaped chain arrangement along the bc plane of the unit cell. In addition to this, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.8102 (11) and 3.8803(12) Å], which run along the b-axis direction, stabilize the mol-ecular packing.

| S-EPMC3998543 | biostudies-literature

Methyl (2Z)-2-bromo-meth-yl-3-(3-chloro-phen-yl)prop-2-enoate.

Project description:There are two independent mol-ecules (A and B) in the asymmetric unit of the title compound C11H10BrClO2, which represents the Z isomer. The methyl-acrylate moieties are essentially planar, within 0.084 (2) and 0.027 (5) Å in mol-ecules A and B, respectively. The benzene ring makes dihedral angles of 13.17 (7) and 27.89 (9)° with the methyl-acrylate moiety in mol-ecules A and B, respectively. The methyl-bromide moiety is almost orthogonal to the benzene ring, making dihedral angles of 81.46 (16)° in mol-ecule A and 79.61 (16)° in mol-ecule B. The methyl-acrylate moiety exhibits an extended trans conformation in both mol-ecules. In the crystal, pairs of C-H⋯O hydrogen bonds result in the formation of quasi-centrosymmetric R 2 (2)(14) AB dimers.

| S-EPMC3684935 | biostudies-literature

Methyl (Z)-2-[(2,4-dioxothia-zolidin-3-yl)meth-yl]-3-(2-methyl-phen-yl)prop-2-enoate.

Project description:The C=C bond in the title compound, C(15)H(15)NO(4)S, has a Z configuration. The thia-zolidine ring is essentially planar [maximum deviation = 0.008?(1)?Å for the N atom] and is oriented at a dihedral angle of 59.1?(1)° with respect to the benzene ring. In the crystal, pairs of C-H?O hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R(2) (2)(18) ring motifs. The crystal packing is further stabilized by C-H?? and C-O?? [O?centroid = 3.412?(2)?Å and C-O?centroid = 115.0?(1)°] inter-actions.

| S-EPMC3254499 | biostudies-literature

Ethyl 2-[N-(2-formyl-phen-yl)benzene-sulfonamido]acetate.

Project description:In the mol-ecule of the title compound, C(17)H(17)NO(5)S, the two aromatic rings are oriented at an angle of 30.13?(10)°. The ethyl acetate group assumes an extended conformation. Mol-ecules are linked into C(7) chains running along the a axis by inter-molecular C-H?O hydrogen bonds, and the chains are crosslinked via C-H?? inter-actions, with the sulfonyl-bound phenyl ring acting as an acceptor.

| S-EPMC2968473 | biostudies-literature

Ethyl 2-[N-(2-Formyl-phen-yl)benzene-sulfonamido]acetate.

Project description:In the title compound, C(17)H(17)NO(5)S, the N atom is sp(3)-hybridized and the S atom has a distorted tetra-hedral configuration. The dihedral angle between the two aromatic rings is 30.0?(1)°, and that between the ethyl acetate group and the formyl-phenyl ring is 77.4?(1)°. The mol-ecules are linked into chains along [100] by C-H?O hydrogen bonds and the chains are linked via C-H?? inter-actions.

| S-EPMC2968679 | 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