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View article: Synthesis, Crystal Structure, Hirshfeld Surface, Energy Framework and Molecular Docking of 2-(((6-Methoxy pyridin-3-yl)imino)methyl)Phenol
Synthesis, Crystal Structure, Hirshfeld Surface, Energy Framework and Molecular Docking of 2-(((6-Methoxy pyridin-3-yl)imino)methyl)Phenol Open
The structure of 2-(((6-methoxypyridin-3-yl)imino)methyl)phenol (MPIMP) (C13H12N2O2) has been determined by X-ray diffraction methods. It crystallizes in the tetragonal crystal system with space group P42/n and unit cell dimensions a = 14.…
View article: Synthesis, X-ray structure, and DFT analysis of a binary complex of 3,3'-[(3-benzimidazolyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one): 5-Methyl-1,3-thiazol-2(3H)-imine
Synthesis, X-ray structure, and DFT analysis of a binary complex of 3,3'-[(3-benzimidazolyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one): 5-Methyl-1,3-thiazol-2(3H)-imine Open
A combined theoretical and experimental investigation on a pharmaceutically important binary complex 3,3'-[(3-benzimidazolyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one): 5-methyl-1,3-thiazol-2(3H)-imine is presented in this manuscript. …
View article: CCDC 1906052: Experimental Crystal Structure Determination
CCDC 1906052: 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: Synthesis, spectroscopic and X-ray crystallographic analysis of N-(2-(2-(4-chlorophenoxy)acetamido)phenyl)-1H-indole-2-carboxamide
Synthesis, spectroscopic and X-ray crystallographic analysis of N-(2-(2-(4-chlorophenoxy)acetamido)phenyl)-1H-indole-2-carboxamide Open
Medicinal chemistry of indole analogs constitutes important therapeutic agents with anti-oxidant, anti-HIV and anti-cancer activities. Indole nucleus is frequently found in synthetic and natural products, pharmaceuticals, functional materi…
View article: 1-(Cycloheptylidene)thiosemicarbazide
1-(Cycloheptylidene)thiosemicarbazide Open
The asymmetric unit of the title compound, C 8 H 15 N 3 S, contains two independent molecules. In both molecules, the seven-membered cycloheptane ring adopts a chair conformation. An intramolecular N—H...N hydrogen bond is observed in both…
View article: CCDC 1479683: Experimental Crystal Structure Determination
CCDC 1479683: 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: SYNTHESIS AND CRYSTAL STRUCTURE ANALYSIS OF 4-(2- (4-CHLORO-PHENYL)-4,5-DIPHENYL-1H-IMIDAZOLE-1-YL)- 2,3-DIMETHYL-1-PHENYL-1,2-DIHYDROPYRZOL-5-ONE
SYNTHESIS AND CRYSTAL STRUCTURE ANALYSIS OF 4-(2- (4-CHLORO-PHENYL)-4,5-DIPHENYL-1H-IMIDAZOLE-1-YL)- 2,3-DIMETHYL-1-PHENYL-1,2-DIHYDROPYRZOL-5-ONE Open
The title compound, 4-(2-(4-Chlorophenyl)-4,5-diphenyl-1H-imidazole-1-yl)-2,3-dimethyl-1-phenyl-1,2dihydropyrzol-5-one (C32H25ClN4O), crystallizes in the monoclinic crystal system with space group P21/c with unit cell parameters: a = 7.784…
View article: SYNTHESIS AND CRYSTALLOGRAPHIC STRUCTURE ANALYSIS OF 4,4'-OXYDIANILINE
SYNTHESIS AND CRYSTALLOGRAPHIC STRUCTURE ANALYSIS OF 4,4'-OXYDIANILINE Open
The title compound, 4,4'-Oxydianiline, was synthesized in good yield by the reaction of 4-fluoro nitrobenzene with 4-nitrophenol in dimethylacetamide (DMAc) and toluene at 165 ˚C for 4 h in the presence of K 2 CO 3 to obtain 4,4'dinitrodip…
View article: CCDC 1507484: Experimental Crystal Structure Determination
CCDC 1507484: 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 1505844: Experimental Crystal Structure Determination
CCDC 1505844: 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: 2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide
2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide Open
In the title compound, C 11 H 8 Cl 2 N 2 O 3 , the plane of the pyrrolidine ring (r.m.s. deviation = 0.065 Å) makes a dihedral angle of 52.9 (2)° with the plane of the benzene ring. The least-squares plane of the central amide fragment mak…
View article: Polymorph of (<i>E</i>)-<i>N</i>′-(4-chlorobenzylidene)isonicotinohydrazide monohydrate
Polymorph of (<i>E</i>)-<i>N</i>′-(4-chlorobenzylidene)isonicotinohydrazide monohydrate Open
The title hydrate, C 13 H 10 ClN 3 O·H 2 O, is the orthorhombic polymorph of the previously reported monoclinic compound [Fun et al. (2012). Acta Cryst. E 68 , o2303–o2304). In the title compound, the dihedral angle between the pyridine an…
View article: <i>tert</i>-Butyl 4-{3-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]quinolin-2-yl}piperazine-1-carboxylate
<i>tert</i>-Butyl 4-{3-[6-(4-methoxyphenyl)-2-methylpyrimidin-4-yl]quinolin-2-yl}piperazine-1-carboxylate Open
The asymmetric unit of the title compound, C 30 H 33 N 5 O 3 , contains two independent molecules, A and B . In molecule A , the tert -butyl 4-methylpiperazine-1-carboxylate group was refined as disordered over two sets of sites with an oc…
View article: 3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline
3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline Open
In the title compound, C 26 H 27 N 5 O, the piperazine ring adopts a chair conformation. The pyrimidine ring makes a dihedral angle of 1.5 (1)° with the methoxyphenyl ring and 33.1 (1)° with the quinoline ring system. In the crystal, molec…
View article: CCDC 1556053: Experimental Crystal Structure Determination
CCDC 1556053: 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 1530135: Experimental Crystal Structure Determination
CCDC 1530135: 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 1871635: Experimental Crystal Structure Determination
CCDC 1871635: 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: Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives
Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives Open
Imidazole derivatives I [1-(3,5-Difluoro-4-methylphenyl)-2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole and II 2-(4-fluorophenyl)-4,5-diphenyl-1-(4-trifluoro)-phenyl-1H-imidazole] have been synthesized by using multicomponent reaction(MCR). …
View article: CCDC 1529396: Experimental Crystal Structure Determination
CCDC 1529396: 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: 1-(4-Methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]prop-2-en-1-one
1-(4-Methoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]prop-2-en-1-one Open
In the title molecule, C 24 H 25 N 3 O 2 , the piperazine ring adopts a chair conformation. The methoxyphenyl-substituted ring makes a dihedral angle of 6.79 (5)° with the quinoline ring system. In the crystal, molecules are consolidated i…
View article: Synthesis and Crystal Structure of 2-[(4-Chlorobenzoyl)amino]-3-(4-formylphenyl)prop-2-enoic Acid
Synthesis and Crystal Structure of 2-[(4-Chlorobenzoyl)amino]-3-(4-formylphenyl)prop-2-enoic Acid Open
2-[(4-Chlorobenzoyl)amino]-3-(4-formylphenyl)prop-2-enoic acid (C 17 H 12 ClNO 4 ) crystallizes in the orthorhombic space group Pbcn with unit cell parameters: a = 17.2460(13)Å, b = 9.6735(8) Å, c = 19.953(2)Å, α = β = γ = 90.00o and Z=8.D…
View article: SYNTHESIS AND CRYSTAL STRUCTURE OF (E)-3-(4-BUTOXYPHENYL)-1-(NAPHTHALEN-1-YL)PROP-2-EN-1-ONE
SYNTHESIS AND CRYSTAL STRUCTURE OF (E)-3-(4-BUTOXYPHENYL)-1-(NAPHTHALEN-1-YL)PROP-2-EN-1-ONE Open
Chalcone derivative (E)-3-(4-Butoxyphenyl)-1-(naphthalen-1-yl)prop-2-en-1-one (C23 H22 O2) crystallizes in monoclinic system with space group 'P 21/c ' and unit cell parameters: a = 15.1595(14) Å, b = 7.6644(7) Å, c = 15.8634(15) Å, b = 96…
View article: SYNTHESIS AND CRYSTALLOGRAPHY OF A DIMERIZED CHALCONE DERIVATIVE
SYNTHESIS AND CRYSTALLOGRAPHY OF A DIMERIZED CHALCONE DERIVATIVE Open
The chalcone derivative, [3-(4-Chlorobenzoyl)-2,4-bis((4-propan-2-yl)phenyl)cyclobutyl](4-chlorophenyl)methan one (C36H34Cl2O2), crystallizes in the monoclinic crystal system with space group P21/c and unit cell parameters: a = 18.4793(1)Å…
View article: CCDC 1504894: Experimental Crystal Structure Determination
CCDC 1504894: 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 N-{(1Z)-3-OXO-1-(THIOPHEN-2-YL)-3-[(2E)-2-(THIOPHEN-2-YLMETHYLIDENE)-HYDRAZINYL]PROP-1-EN-2-YL}BENZAMIDE: N,N-DIMETHYLFORMAMIDE (1:1) SOLVATE
CRYSTAL STRUCTURE OF N-{(1Z)-3-OXO-1-(THIOPHEN-2-YL)-3-[(2E)-2-(THIOPHEN-2-YLMETHYLIDENE)-HYDRAZINYL]PROP-1-EN-2-YL}BENZAMIDE: N,N-DIMETHYLFORMAMIDE (1:1) SOLVATE Open
N-{(1Z)-3-Oxo-1-(thiophen-2-yl)-3-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]prop-1-en-2-yl}benzamide:N,N-dimethylformamide (1:1) solvate, (C19H15N3O2S2.C3H7NO), crystallizes in the monoclinic space group C2/c with the following unit cel…
View article: <i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide
<i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide Open
In the title compound, C 20 H 16 N 4 O 2 S, the thiophene ring subtends dihedral angles of 58.6 (3) and 9.8 (3)° with the benzamide and pyridine rings, respectively, whereas these two rings are inclined to one another by 59.3 (3)°. There i…
View article: (4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
(4<i>Z</i>)-1-[(<i>E</i>)-(4-Methoxybenzylidene)amino]-2-phenyl-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one Open
In the title compound, C 22 H 17 N 3 O 2 S, the imidazole ring forms dihedral angles of 9.2 (2), 10.9 (2) and 12.5 (2)° with the thiophene, phenyl and methoxy-substituted benzene rings, respectively. There are two intramolecular C—H...N hy…
View article: (4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one
(4<i>Z</i>)-2-Phenyl-1-{(<i>E</i>)-[4-(propan-2-yl)benzylidene]amino}-4-[(thiophen-2-yl)methylidene]-1<i>H</i>-imidazol-5(4<i>H</i>)-one Open
In the title molecule, C 24 H 21 N 3 OS, the imidazole ring subtends dihedral angles of 4.6 (1) and 20.2 (1)° with the thiophene and iso-propylbenzene rings, respectively. The plane of the imidazole ring forms a dihedral angle of 39.9 (1)°…