Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-Azido-N'-(phenylsulfonyl)methan-imid-amide.

ABSTRACT: In the title compound, C(7)H(7)N(5)O(2)S, the aromatic ring is oriented at dihedral angles of 79.46?(2) and 89.17?(2)°, respectively, with respect to the amino-(azido)-methyl and the S(6) six-membered ring motif generated by an intra-molecular N-H?O inter-action [N?O = 2.8901?(15)?Å]. Inter-molecular N-H?O hydrogen bonds [N?O = 2.9177?(15) and 2.9757?(15)?Å] generate an infinite one-dimensional network along the base vector (010).

SUBMITTER: Khan IU

PROVIDER: S-EPMC3201517 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-Azido-N'-(phenylsulfonyl)methan-imid-amide.

Khan Islam Ullah IU Mahmood Ayyaz A Arshad Muhammad Nadeem MN Shahzad Sohail Anjum SA

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title compound, C(7)H(7)N(5)O(2)S, the aromatic ring is oriented at dihedral angles of 79.46 (2) and 89.17 (2)°, respectively, with respect to the amino-(azido)-methyl and the S(6) six-membered ring motif generated by an intra-molecular N-H⋯O inter-action [N⋯O = 2.8901 (15) Å]. Inter-molecular N-H⋯O hydrogen bonds [N⋯O = 2.9177 (15) and 2.9757 (15) Å] generate an infinite one-dimensional network along the base vector (010). ...[more]

PMID: 22065716

Similar Datasets

N-(2-Iodo-phen-yl)benzene-carbox-imid-amide.

Project description:The title compound, C(13)H(11)IN(2), crystallizes with two independent molecules (A and B) in the asymmetric unit. The two aromatic rings are inclined to one another by 73.3 (2)° in molecule A, and by 74.4 (1)° in molecule B. In molecule A, the iodophenyl and the phenyl rings are inlclined to the N=C-N plane by 88.0 (4) and 19.0 (4)°, respectively. In molecule B the corresponding angles are 85.0 (4) and 20.7 (4)°, respectively. In the crystal, the two molecules are not parallel but have a dihedral angle between the iodophenyl rings of 8.6 (1)°, and 44.5 (2)° between the phenyl rings. The A and B molecules are linked vvia N-H⋯N hydrogen bonds to form -A-B-A-B- chains propagating along direction [100].

| S-EPMC3295497 | biostudies-literature

Poly[bis-(μ-azido-κN:N)[μ-1,2-bis-(imid-azol-1-yl)ethane-κN:N]cadmium].

Project description:In the title three-dimensional coordination polymer, [Cd(N(3))(2)(C(8)H(10)N(4))](n), the coordination geometry around the Cd(II) atom is distorted octa-hedral. The Cd(II) atom is coordinated by two N atoms from two cis-positioned bridging 1,2-bis-(imidazol-1-yl)ethane (bime) ligands and four N atoms from four azide anions. Each azide ligand acts in an end-on bridging coordination mode. The azide ligands and Cd(II) atoms form a one-dimensional zigzag chain constructed from four-membered [Cd(N(3))(2)](n) metallacycles extending along the a axis. These inorganic chains are connected with four other chains via bridging bime ligands to form a three-dimensional coordination network.

| S-EPMC3297221 | biostudies-literature

cis-Bis(azido-κN)bis-(pyridine-2-carbox-amide-κN,O)nickel(II).

Project description:The title compound, [Ni(N(3))(2)(C(6)H(6)N(2)O)(2)], was obtained as the first crystalline product from the reaction of Ni(NO(3))(2)·6H(2)O, picolinamide and NaN(3) in aqueous media. After a few days in the mother liquor, crystals of the cis isomer transformed into the trans isomer [Đaković & Popović (2007 ▶). Acta Cryst. C63, m507-m509]. The Ni atom exhibits a distorted octa-hedral environment and contains two azide ions and two planar N,O-chelating picolinamide ligands, all cis related. The dihedral angle between the two chelate rings is 82.43 (7)°. Pairs of mol-ecules are linked by N-H⋯N hydrogen bonds into cyclic R(2) (2)(16) dimers, which are further packed into a three-dimensional framework by C(6) and C(8) chains by N-H⋯N hydrogen bonds.

| S-EPMC2960430 | biostudies-literature

Antibacterial properties of 3-(phenylsulfonyl)-2-pyrazinecarbonitrile.

Project description:The emergence of multidrug-resistant bacterial strains has heightened the need for new antimicrobial agents based on novel chemical scaffolds that are able to circumvent current modes of resistance. We recently developed a whole-animal drug-screening methodology in pursuit of this goal and now report the discovery of 3-(phenylsulfonyl)-2-pyrazinecarbonitrile (PSPC) as a novel antibacterial effective against resistant nosocomial pathogens. The minimum inhibitory concentrations (MIC) of PSPC against Staphylococcus aureus and Enterococcus faecium were 4 μg/mL and 8 μg/mL, respectively, whereas the MICs were higher against the Gram-negative bacteria Klebsiella pneumoniae (64 μg/mL), Acinetobacter baumannii (32 μg/mL), Pseudomonas aeruginosa (>64 μg/mL), and Enterobacter spp. (>64 μg/mL). However, co-treatment of PSPC with the efflux pump inhibitor phenylalanine arginyl β-naphthylamide (PAβN) or with sub-inhibitory concentrations of the lipopeptide antibiotic polymyxin B reduced the MICs of PSPC against the Gram-negative strains by >4-fold. A sulfide analog of PSPC (PSPC-1S) showed no antibacterial activity, whereas the sulfoxide analog (PSPC-6S) showed identical activity as PSPC across all strains, confirming structure-dependent activity for PSPC and suggesting a target-based mechanism of action. PSPC displayed dose dependent toxicity to both Caenorhabditis elegans and HEK-293 mammalian cells, culminating with a survival rate of 16% (100 μg/mL) and 8.5% (64 μg/mL), respectively, at the maximum tested concentration. However, PSPC did not result in hemolysis of erythrocytes, even at a concentration of 64 μg/mL. Together these results support PSPC as a new chemotype suitable for further development of new antibiotics against Gram-positive and Gram-negative bacteria.

| S-EPMC4718707 | biostudies-literature

Methan producing activate sludge

Project description:Methan producing activate sludge Metagenome

| PRJNA812233 | ENA

[1-(Carboxy-meth-yl)cyclo-hexyl]-methan-aminium dihydrogen phosphate.

Project description:In the title salt, C(9)H(18)NO(2) (+)·H(2)PO(4) (-), the cyclo-hexane ring is puckered, the total puckering amplitude Q(T) being 0.555 (4) Å, and an intra-molecular N-H⋯O hydrogen bond generates an S(7) ring. In the crystal structure, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds lead to R(2) (2)(14), R(3) (3)(8) and R(4) (2)(8) rings, generating a two-dimensional layer.

| S-EPMC2979205 | biostudies-literature

Di-μ(1,1)-azido-bis-[azido-(5,5'-dimethyl-2,2'-bipyridine)nickel(II)].

Project description:In the title azide-bridged dinuclear centrosymmetric nickel(II) complex, [Ni(2)(N(3))(4)(C(12)H(12)N(2))(2)], the Ni(II) atom is five-coordinated by two N atoms of the 5,5'-dimethyl-2,2'-bipyridine ligand and three N atoms from three azide ligands in a distorted trigonal-bipyramidal geometry. The Ni⋯Ni distance is 3.2398 (12) Å.

| S-EPMC2959945 | biostudies-literature

6-Azido-6-de-oxy-α-l-galactose (6-azido-l-fucose) monohydrate.

Project description:Although 6-azido-6-de-oxy-l-galactose in aqueous solution is in equilibrium between the open-chain, furan-ose and pyran-ose forms, it crystallizes solely as 6-azido-6-de-oxy-α-l-galactopyran-ose monohydrate, C(6)H(11)N(3)O(5)·H(2)O, with the six-membered ring adopting a chair conformation. The structure exists as hydrogen-bonded chains, with each mol-ecule acting as a donor and acceptor of five hydrogen bonds. There are no unusual crystal packing features and the absolute configuration was determined from the use of 1-azido-1-de-oxy-d-galactitol as the starting material.

| S-EPMC2962088 | biostudies-literature

Azido-galactose outperforms azido-mannose for metabolic labeling and targeting of hepatocellular carcinoma.

Project description:Metabolic glycoengineering of unnatural monosaccharides provides a facile method to label cancer cells with chemical tags for glycan imaging and cancer targeting. Multiple types of monosaccharides have been utilized for metabolic cell labeling. However, the comparison of different types of monosaccharides in labeling efficiency and selectivity has not been reported. In this study, we compared N-azidoacetylgalactosamine (GalAz) and N-azidoacetylmannosamine (ManAz) for metabolic labeling of HepG2 hepatocellular carcinoma in vitro and in vivo. GalAz showed higher labeling efficiency at low concentrations, and outperformed ManAz in metabolic labeling of HepG2 tumors in vivo. GalAz mediated labeling of HepG2 tumors with azido groups significantly improved the tumor accumulation of dibenzocyclooctyne (DBCO)-Cy5 and DBCO-doxorubicin conjugate via efficient Click chemistry. This study, for the first time, uncovered the distinct labeling efficiency and selectivity of different unnatural monosaccharides in liver cancers.

| S-EPMC6759386 | biostudies-literature

N-[(3-Phenylsulfanyl-1-phenylsulfonyl-1H-indol-2-yl)methyl]acetamide.

Project description:In the title compound, C(23)H(20)N(2)O(3)S(2), the phenylsulfonyl ring and phenylthio ring make dihedral angles of 66.5 (7) and 81.2 (6)°, respectively, with the indole unit. In the crystal, mol-ecules are linked into centrosymmetric dimers via pairs of N-H⋯O hydrogen bonds with graph-set motif R(2) (2)(14). The crystal structure is further stabilized by weak inter-molecular C-H⋯O and very weak C-H⋯π inter-actions.

| S-EPMC2977706 | 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