Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-[(2-Amino-phen-yl)sulfan-yl]-N-(4-meth-oxy-phen-yl)acetamide.

ABSTRACT: In the title compound, C(15)H(16)N(2)O(2)S, the dihedral angle between the 4-meth-oxy-aniline and 2-amino-benzene-thiole fragments is 35.60?(9)°. A short intra-molecular N-H?S contact leads to an S(5) ring. In the crystal, mol-ecules are consolidated in the form of polymeric chains along [010] as a result of N-H?O hydrogen bonds, which generate R(3) (2)(18) and R(4) (3)(22) loops. The polymeric chains are interlinked through C-H?O inter-action and complete R(2) (2)(8) ring motifs.

SUBMITTER: Murtaza S

PROVIDER: S-EPMC3379516 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2-[(2-Amino-phen-yl)sulfan-yl]-N-(4-meth-oxy-phen-yl)acetamide.

Murtaza Shahzad S Tahir M Nawaz MN Tariq Javaria J Abbas Aadil A Kausar Naghmana N

Acta crystallographica. Section E, Structure reports online 20120531 Pt 6

In the title compound, C(15)H(16)N(2)O(2)S, the dihedral angle between the 4-meth-oxy-aniline and 2-amino-benzene-thiole fragments is 35.60 (9)°. A short intra-molecular N-H⋯S contact leads to an S(5) ring. In the crystal, mol-ecules are consolidated in the form of polymeric chains along [010] as a result of N-H⋯O hydrogen bonds, which generate R(3) (2)(18) and R(4) (3)(22) loops. The polymeric chains are interlinked through C-H⋯O inter-action and complete R(2) (2)(8) ring motifs. ...[more]

PMID: 22719714

Similar Datasets

Crystal structures of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(2,4-di-methyl-phen-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(3-meth-oxy-phen-yl)acetamide.

Project description:In the title compounds, C14H17N5OS (I) and C13H15N5O2S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra-molecular C-H⋯O hydrogen bond, and in (II) there is also an intra-molecular N-H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N-H⋯N hydrogen bonds links the individual mol-ecules to form inversion dimers with R22(8) ring motifs. In (I), the dimers are linked by N-H⋯O and C-H⋯O hydrogen bonds, enclosing R21(14), R21(11) and R21(7) ring motifs, forming layers parallel to the (100) plane. There is also an N-H⋯π inter-action present within the layer. In (II), the inversion dimers are linked by N-H⋯O hydrogen bonds enclosing an R44(18) ring motif. The presence of N-H⋯O and C-H⋯O hydrogen bonds generate an R21(6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane.

| S-EPMC5499277 | biostudies-literature

N-[2-(3,4-Di-meth-oxy-phen-yl)-2-(phenyl-sulfan-yl)eth-yl]-2-(2-fluoro-phen-yl)acetamide.

Project description:The title compound, C24H24FNO3S, is an inter-mediate in the synthesis of fluorine containing iso-quinoline alkaloids, which crystallizes in the triclinic space group P with one mol-ecule in the asymmetric unit. The structure presents a racemic mixture of enanti-omers. The C-S-C-C torsion angle between the benzene ring system and the sulfonyl benzene ring is -178.5 (1)°. In the crystal, N-H⋯O hydrogen bonds between neighbouring mol-ecules form chains of mol-ecules along the a-axis direction.

| S-EPMC9462268 | biostudies-literature

N-{4-[(2-Meth-oxy-phen-yl)sulfamo-yl]phen-yl}acetamide.

Project description:In the title compound, C(15)H(16)N(2)O(4)S, the S atom has a distorted tetra-hedral geometry [maximum deviation: O-S-O = 118.25 (7)°]. The two aromatic rings make a dihedral angle of 62.67 (10)° with each other. An intra-molecular N-H⋯O hydrogen bond forms an S(6) ring motif. In the crystal, mol-ecules form centrosymmetric dimers via pairwise N-H⋯O inter-actions, forming an R(2) (2)(8) ring motif, and these dimers are connected by N-H⋯O hydrogen bonds, generating a three-dimensional network. Furthermore, a weak C-H⋯π inter-action helps to reinforce the crystal structure. The O atom in the acetamide group is disordered over two positions with major and minor occupancies of 0.52 (5) and 0.48 (5), respectively.

| S-EPMC3051762 | biostudies-literature

Methyl N-({[2-(2-meth-oxy-acetamido)-4-(phenyl-sulfan-yl)phen-yl]amino}[(meth-oxy-carbonyl)imino]methyl)carbamate.

Project description:In the title compound, C(20)H(22)N(4)O(6)S, the phenyl and benzene rings form a dihedral angle of 58.75?(5)°. Intra-molecular N-H?O and N-H?N hydrogen bonds generate two S(6) and one S(7) ring motif, respectively. In the crystal, mol-ecules are linked via N-H?O, N-H?N, C-H?S and C-H?O hydrogen bonds, forming two-dimensional networks parallel to the bc plane.

| S-EPMC3297308 | biostudies-literature

1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene.

Project description:The title compound, C(21)H(20)O(2)S(2), forms a propeller-shaped structure with the tetra-hedral C atom as the central hub and meth-oxy-benzene and phenyl residues as radiating blades. Short C-H?? contacts are observed.

| S-EPMC3297852 | biostudies-other

Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfan-yl]-N-(2-meth-oxy-phen-yl)acetamide.

Project description:In the title compound, C16H14N2O3S, the 1,3-benzoxazole ring system is essentially planar (r.m.s deviation = 0.004?Å) and makes a dihedral angle of 66.16?(17)° with the benzene ring of the meth-oxy-phenyl group. Two intra-molecular N-H?O and N-H?N hydrogen bonds occur, forming S(5) and S(7) ring motifs, respectively. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules into inversion dimers with R 2 2(14) ring motifs, stacked along the b-axis direction. The inversion dimers are linked by C-H?? and ?-?-stacking inter-actions [centroid-to-centroid distances = 3.631?(2) and 3.631?(2)?Å], forming a three-dimensional network. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from H?H (39.3%), C?H/H?C (18.0%), O?H/H?O (15.6) and S?H/H?S (10.2%) inter-actions.

| S-EPMC6775743 | biostudies-literature

Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

| S-EPMC4555440 | biostudies-literature

N-[(2-Hydr-oxy-5-methoxy-phen-yl)(3-nitro-phen-yl)meth-yl]acetamide.

Project description:In the title compound, C(16)H(16)N(2)O(5), the meth-oxy group is disordered with site occupancies of 0.20 (3) and 0.80 (3). The dihedral angle between the two aromatic rings is 73.7 (2)°. The crystal structure is characterized by intermolecular N-H⋯O, O-H⋯O, C-H⋯O and C-H⋯π hydrogen bonds.

| S-EPMC2968863 | biostudies-literature

2-[(5,7-Dibromo-quinolin-8-yl)-oxy]-N-(2-meth-oxy-phen-yl)acetamide.

Project description:In the title compound, C(18)H(14)Br(2)N(2)O(3), an intra-molecular N-H?N hydrogen bond forms an eight-membered ring. The dihedral angle between the planes of the quinoline system and the benzene ring is 41.69?(1)°. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and short Br?O inter-actions [3.0079?(19)?Å].

| S-EPMC3011411 | 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 ›

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