Galal H. Elgemeie
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View article: Crystal structure of 4-chloro- <i>N</i> -{5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-6-sulfanylidene-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}benzenesulfonamide dimethyl sulfoxide disolvate
Crystal structure of 4-chloro- <i>N</i> -{5-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-6-sulfanylidene-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene}benzenesulfonamide dimethyl sulfoxide disolvate Open
In the structure of the title compound, C 23 H 20 ClN 5 O 4 S 2 ·2C 2 H 6 OS, the two DMSO solvent molecules are hydrogen bonded to the two NH groups of the main molecule. The (modified) triazine ring is planar and is approximately perpend…
View article: Crystal structure of the 1:1 adduct of (<i>E</i>)-5-(2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene)-2,6-dioxo-4-phenyl-1,2,5,6-tetrahydropyridine-3-carbonitrile and its piperidinium salt, piperidinium (<i>Z</i>)-5-(benzo[<i>d</i>]thiazol-2-yl)-3-cyano-6-oxo-4-phenyl-1,6-dihydropyridin-2-olate
Crystal structure of the 1:1 adduct of (<i>E</i>)-5-(2,3-dihydrobenzo[<i>d</i>]thiazol-2-ylidene)-2,6-dioxo-4-phenyl-1,2,5,6-tetrahydropyridine-3-carbonitrile and its piperidinium salt, piperidinium (<i>Z</i>)-5-(benzo[<i>d</i>]thiazol-2-yl)-3-cyano-6-oxo-4-phenyl-1,6-dihydropyridin-2-olate Open
In the structure of the title compound, C 5 H 12 N + ·C 19 H 10 N 3 O 2 S − ·C 19 H 11 N 3 O 2 S, the central pyridinic rings are approximately coplanar to the benzothiazole moieties. The phenyl groups are appreciably angled to the central…
View article: 2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-<i>β</i>-<scp>D</scp>-galactopyranose
2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-<i>β</i>-<span>D</span>-galactopyranose Open
In the structure of the title compound, C 17 H 25 NO 9 S 2 , the bond lengths in the C—S—C moiety are almost equal at 1.7959 (8) and 1.7877 (9) Å, with a shorter formally double C—S bond of 1.6698 (9) Å at the other sulfur atom. The eight-…
View article: Crystal structure of 1-amino-3-(4-chlorophenyl)-2-cyano-3<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyridine-4-carboxamide
Crystal structure of 1-amino-3-(4-chlorophenyl)-2-cyano-3<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyridine-4-carboxamide Open
In the structure of the title compound, C 19 H 13 ClN 4 OS, the four atoms of the pyridinic ring that are not fused with the thiazole, including the sp 3 C atom, lie significantly outside the benzothiazole plane. A short intramolecular S..…
View article: Synthesis, antibacterial evaluation and in silico studies of novel 2-(benzo[d]thiazol-2-yl)-N-arylacetamides and their derivatives as potential DHFR inhibitors
Synthesis, antibacterial evaluation and in silico studies of novel 2-(benzo[d]thiazol-2-yl)-N-arylacetamides and their derivatives as potential DHFR inhibitors Open
Novel N -arylacetamides 2a – f were synthesized based on benzo[ d ]thiazole scaffold. The compounds 2a – c underwent Knoevenagel condensation through green synthetic method with different aromatic aldehydes and pyrazole-7-carbaldehydes del…
View article: Synthetic strategies towards benzothiazole-based compounds of therapeutic potency: experimental, investigational and approved drugs
Synthetic strategies towards benzothiazole-based compounds of therapeutic potency: experimental, investigational and approved drugs Open
Benzothiazoles play significant roles in modern therapeutical chemistry owing to their significant effects and their integration into various pharmaceutical agents. Novel strategies targeting therapeutic benzothiazoles have been developed .
View article: Novel 2-substituted benzothiazole derivatives: synthesis, <i>in vitro</i> and <i>in silico</i> evaluations as potential anticancer agents
Novel 2-substituted benzothiazole derivatives: synthesis, <i>in vitro</i> and <i>in silico</i> evaluations as potential anticancer agents Open
Benzothiazole–benzylidene hybrids exhibit potent anticancer activity.
View article: Crystal structures of four thioglycosides involving carbamimidothioate groups
Crystal structures of four thioglycosides involving carbamimidothioate groups Open
The compounds 2′,3′,4′,6′-tetra- O -acetyl-β-D-glucopyranosyl N ′-cyano- N -phenylcarbamimidothioate (C 22 H 25 N 3 O 9 S, 5a ), 2′,3′,4′,6′-tetra- O -acetyl-β-D-galactopyranosyl N ′-cyano- N- phenylcarbamimidothioate, (C 22 H 25 N 3 O 9 S…
View article: Novel 2-Substituted Benzothiazole Derivatives: Synthesis, In-vitro and In- silico Evaluations as Potential Anticancer Agents
Novel 2-Substituted Benzothiazole Derivatives: Synthesis, In-vitro and In- silico Evaluations as Potential Anticancer Agents Open
Cancer remains a global health concern, demanding the development of new therapeutic medicines. This research focuses on the synthesis, in vitro evaluation, and in silico analysis of new 2-substituted benzothiazole derivatives as possible …
View article: Crystal structure of (<i>E</i>)-<i>N</i>-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-enamide
Crystal structure of (<i>E</i>)-<i>N</i>-(4-bromophenyl)-2-cyano-3-[3-(2-methylpropyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-enamide Open
The structure of the title compound, C 23 H 21 BrN 4 O, contains two independent molecules connected by hydrogen bonds of the type N amide —H...N[triple-bond]C to form a dimer. The configuration at the exocyclic C=C double bond is E . The …
View article: Crystal structure of 2,4-diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5<i>H</i>-chromeno[2,3-<i>b</i>]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1)
Crystal structure of 2,4-diamino-5-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-oxo-6,7,8,9-tetrahydro-5<i>H</i>-chromeno[2,3-<i>b</i>]pyridine-3-carbonitrile–dimethylformamide–water (1/1/1) Open
In the structure of the title compound, C 22 H 22 N 4 O 4 ·C 3 H 7 NO·H 2 O, the entire tricyclic system is approximately planar except for the carbon atom bearing the two methyl groups; the methoxyphenyl ring is approximately perpendicula…
View article: Synthesis and crystal structure of <i>N</i>-phenyl-2-(phenylsulfanyl)acetamide
Synthesis and crystal structure of <i>N</i>-phenyl-2-(phenylsulfanyl)acetamide Open
N -Phenyl-2-(phenylsulfanyl)acetamide, C 14 H 13 NOS, was synthesized and structurally characterized. In the crystal, N—H...O hydrogen bonding leads to the formation of chains of molecules along the [100] direction. The chains are linked b…
View article: Novel acrylamide-pyrazole conjugates: Design, synthesis and antimicrobial evaluation.
Novel acrylamide-pyrazole conjugates: Design, synthesis and antimicrobial evaluation. Open
A novel series of acrylamide-pyrazole conjugates were synthesized using a new strategy starting from 3-isobutyl-1-phenyl-1H-pyrazole-4-carbaldehyde 1. The reaction pathway was performed via unexpected routes to generate new pyrazole deriva…
View article: Crystal structure of 4-(benzo[<i>d</i>]thiazol-2-yl)-1,2-dimethyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
Crystal structure of 4-(benzo[<i>d</i>]thiazol-2-yl)-1,2-dimethyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one Open
In the title compound, C 12 H 11 N 3 OS, the interplanar angle between the pyrazole and benzothiazole rings is 3.31 (7)°. In the three-dimensional molecular packing, the carbonyl oxygen acts as acceptor to four C—H donors (with one H...O a…
View article: Novel Synthesis of New Triazine Sulfonamides with Antitumor, Antimicrobial and Anti-SARS-CoV-2 Activities
Novel Synthesis of New Triazine Sulfonamides with Antitumor, Antimicrobial and Anti-SARS-CoV-2 Activities Open
Novel approach for synthesizing triazine sulfonamide derivatives is accomplished via reacting the sulfaguanidine derivatives with N-cyanodithioiminocarbonate. Further reaction of the novel triazine sulfonamide analogues were reacted with v…
View article: CCDC 2321847: Experimental Crystal Structure Determination
CCDC 2321847: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: An unexpected tautomer: synthesis and crystal structure of <i>N</i>-[6-amino-4-(methylsulfanyl)-1,2-dihydro-1,3,5-triazin-2-ylidene]benzenesulfonamide
An unexpected tautomer: synthesis and crystal structure of <i>N</i>-[6-amino-4-(methylsulfanyl)-1,2-dihydro-1,3,5-triazin-2-ylidene]benzenesulfonamide Open
The title compound, C 10 H 11 N 5 O 2 S 2 , consists of an unexpected tautomer with a protonated nitrogen atom in the triazine ring and a formal exocyclic double bond C=N to the sulfonamide moiety. The ring angles at the unsubstituted nitr…
View article: CCDC 2313157: Experimental Crystal Structure Determination
CCDC 2313157: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Crystal structure of 2-[(5-amino-1-tosyl-1<i>H</i>-pyrazol-3-yl)oxy]-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate
Crystal structure of 2-[(5-amino-1-tosyl-1<i>H</i>-pyrazol-3-yl)oxy]-1-(4-methoxyphenyl)ethan-1-one 1,4-dioxane monosolvate Open
In the structure of the title compound, C 19 H 19 N 3 O 5 S·C 4 H 8 O 2 , the two independent dioxane molecules each display inversion symmetry. The pyrazole ring is approximately parallel to the aromatic ring of the oxy-ethanone group and…
View article: Synthesis and Biological Evaluation of Benzothiazolyl-pyridine Hybrids as New Antiviral Agents against H5N1 Bird Flu and SARS-COV-2 Viruses
Synthesis and Biological Evaluation of Benzothiazolyl-pyridine Hybrids as New Antiviral Agents against H5N1 Bird Flu and SARS-COV-2 Viruses Open
A novel series of benzothiazolyl-pyridine hybrids 8a-h and 14a-e were produced from the reaction of enamine derivative 4 with each of the arylcyanoacetamides 5a-h and cyanoacetohydrazides 9a-e. The new products were characterized by spectr…
View article: CCDC 2111897: Experimental Crystal Structure Determination
CCDC 2111897: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2287438: Experimental Crystal Structure Determination
CCDC 2287438: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Crystal structure of 2-{[5-(methylsulfanyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]methyl}benzo[<i>d</i>]thiazole
Crystal structure of 2-{[5-(methylsulfanyl)-4-phenyl-4<i>H</i>-1,2,4-triazol-3-yl]methyl}benzo[<i>d</i>]thiazole Open
In the structure of the title compound, C 17 H 14 N 4 O 2 , the triazole ring exhibits interplanar angles of 63.86 (2) and 76.96 (2)° with the phenyl and benzothiazole planes, respectively. The C—C—C angle at the methylene group is rather …
View article: CCDC 2269285: Experimental Crystal Structure Determination
CCDC 2269285: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Crystal structure of 5-(β-<scp>D</scp>-glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
Crystal structure of 5-(β-<span>D</span>-glucopyranosylthio)-<i>N</i>-(4-methylphenyl)-1,3,4-thiadiazol-2-amine Open
In the structure of the title compound, C 15 H 19 N 3 O 5 S 2 , the bond lengths at the linking sulfur atom are significantly different [1.7473 (17) and 1.811 (2) Å], and the angle at the exocyclic nitrogen atom is wide at 128.45 (18)°. Th…
View article: Novel Fluorescent Benzothiazolyl-Coumarin Hybrids as Anti-SARS-COVID-2 Agents Supported by Molecular Docking Studies: Design, Synthesis, X-ray Crystal Structures, DFT, and TD-DFT/PCM Calculations
Novel Fluorescent Benzothiazolyl-Coumarin Hybrids as Anti-SARS-COVID-2 Agents Supported by Molecular Docking Studies: Design, Synthesis, X-ray Crystal Structures, DFT, and TD-DFT/PCM Calculations Open
This study revealed the design and preparation of new 3-(benzo[d]thiazol-2-yl)-2H-chromen-2-one derivatives 9a-h. The structures of the synthesized products were elucidated by their spectroscopic data and X-ray crystallography for compound…
View article: CCDC 2256779: Experimental Crystal Structure Determination
CCDC 2256779: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Crystal structure of 3-(benzo[<i>d</i>]thiazol-2-yl)-6-methyl-2<i>H</i>-chromen-2-one
Crystal structure of 3-(benzo[<i>d</i>]thiazol-2-yl)-6-methyl-2<i>H</i>-chromen-2-one Open
The molecule of the title compound, C 17 H 11 NO 2 S, is almost planar, with an interplanar angle of 3.01 (3)° between the benzothiazole and chromene ring systems. A short intramolecular S...O=C contact of 2.727 (2) Å is observed. The crys…
View article: CCDC 2252955: Experimental Crystal Structure Determination
CCDC 2252955: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …