Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Seshadri PR

PROVIDER: S-EPMC2968679 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

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(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⋯π inter-actions. ...[more]

PMID: 21582191

Similar Datasets

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

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

Project description: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.

| S-EPMC3239132 | biostudies-literature

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

N-(2-Formyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(13)H(11)NO(3)S, the two aromatic rings are oriented at an angle of 88.18 (8)°. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds are observed, each of which generates an S(6) ring motif. In the crystal, mol-ecules are linked into C(7) chains along [010] by inter-molecular C-H⋯O hydrogen bonds. The structure is further stabilized by inter-molecular C-H⋯π inter-actions involving the sulfonyl-bound phenyl ring.

| S-EPMC2969910 | 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

Ethyl 3-[2-(p-toluene-sulfonamido)phen-yl]acrylate.

Project description:In the title compound, C(18)H(19)NO(4)S, the two benzene rings form a dihedral angle of 52.2?(7)°. The crystal struture is stabilized by N-H?O hydrogen bonds, which link the molecules into dimers.

| S-EPMC2970429 | biostudies-literature

Methyl 2-(benzene-sulfonamido)acetate.

Project description:The title compound, C(9)H(11)NO(4)S, is of inter-est as a precursor to biologically active benzothia-zines. The crystal structure is stabilized by inter-molecular N-H?O and C-H?O inter-actions.

| S-EPMC2969744 | biostudies-literature

N-{[4-(4-Meth-oxy-benzene-sulfonamido)-phen-yl]sulfon-yl}acetamide.

Project description:In the title compound, C(15)H(16)N(2)O(6)S(2), the dihedral angle between the benzene rings is 83.2 (3)°. The mol-ecular conformation is stabilized by an intra-molecular C-H⋯O inter-action. In the crystal structure, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds and additional stabilization is provided by weak C-H⋯π inter-actions.

| S-EPMC3006991 | 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