Structural systematics of aryl-1,3-dithiane derivatives: crystal and energy-minimised structures, and Hirshfeld surface analysis

QR Code

Structural systematics of aryl-1,3-dithiane derivatives: crystal and energy-minimised structures, and Hirshfeld surface analysis

The crystal structure analysis of three aryl-1,3-dithiane derivatives, with aryl=4-methylphenyl (1), 4-chlorophenyl (2) and 2,4-dichlorophenyl (3), shows the three molecules to have very similar conformations, with the aryl ring lying on an approximate mirror plane that bisects the dithiane ring whi...

Full description

Bibliographic Details
Main Authors:	Zukerman-Schpector, Julio, Sousa Madureira, Lucas, Stefani, Hélio A., Gozhina, Olga, Tiekink, Edward R. T. *
Format:	Article
Language:	English
Published:	De Gruyter 2016
Subjects:	QD Chemistry
Online Access:	http://eprints.sunway.edu.my/655/ http://eprints.sunway.edu.my/655/1/Z.%20Kristallogr.%202016%20231%20329.pdf

Similar Items

1-Butyl-1-chloro-3-methyl-3H-2,1λ4-benzoxatellurole: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

Structural, Hirshfeld surface and theoretical analysis of two conformational polymorphs of N,N′-bis(pyridin-3-ylmethyl)oxalamide
by: Jotani, Mukesh M., et al.
Published: (2016)

Solute–solvent interactions mediated by main group element(lone-pair)···π(aryl) interactions
by: Tiekink, Edward R. T. *, et al.
Published: (2017)

7-Methyl-5-[(4-methylbenzene)sulfonyl]-2H,5H-[1,3]dioxolo[4,5-f]indole: crystal structure and Hirshfeld analysis
by: Ali, Akbar, et al.
Published: (2018)

Crystallographic, DFT and docking (cathepsin B) studies on an organotellurium(IV) compound
by: Caracelli, Ignez, et al.
Published: (2016)

Methyl 3-[(1-benzyl-4-phenyl-1H-1,2,3-triazol-5-yl)formamido]propanoate: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Caracelli, Ignez, et al.
Published: (2020)

2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis
by: Caracelli, Ignez, et al.
Published: (2018)

4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2018)

2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study
by: Caracelli, Ignez, et al.
Published: (2019)

2-[(4-Bromophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Caracelli, Ignez, et al.
Published: (2019)

2-[(4-Chlorophenyl)selanyl]-3,4-dihydro-2H-benzo[h]chromene-5,6-dione: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

Ethyl 2-(4-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

(4-Nitrophenyl)methyl 2,3-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2018)

Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te
by: Caracelli, Ignez, et al.
Published: (2020)

Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4
by: Caracelli, Ignez, et al.
Published: (2020)

An inorganic helix in the supramolecular structure of trimethyltin diphenylarsinate, [me3sn(o2asph2)]n: a structural comparison of triorganotin arsinates and phosphinates
by: Silaghi-Dumitrescu, Luminita, et al.
Published: (2016)

N′-(1,3-Benzothiazol-2-yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Baddeley, T. C., et al.
Published: (2019)

3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-1H,5H-pyrano[3,2-b]pyrrol-5-one: crystal structure and Hirshfeld surface analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2017)

Racemic mefloquinium chlorodifluoroacetate: Crystal structure and Hirshfeld surface analysis
by: Wardell, James L., et al.
Published: (2018)

Crystal structure of O-hexyl benzoylcarbamothioate, C14H19NO2S
by: Caracelli, Ignez, et al.
Published: (2020)

Synthesis and structural characterization of some adducts of 1,4-dithian and -oxathian with silver(I) nitrate and perchlorate
by: Effendy, et al.
Published: (2003)

Crystal structures and docking studies in cathepsin S of bioactive 1,3‐diphenyl‐4‐(trichloro‐λ4‐tellanyl)but‐2‐en‐1‐one derivatives
by: Maganhi, Stella H., et al.
Published: (2021)

1-Ethyl 2-methyl 3,4-bis(acetyloxy)pyrrolidine-1,2-dicarboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Dallasta Pedroso, Sofia, et al.
Published: (2020)

4-Nitrobenzyl 3,4-bis(acetyloxy)-2-(4-methoxyphenyl)pyrrolidine-1-carboxylate: crystal structure, Hirshfeld surface analysis and computational chemistry
by: Dallasta Pedroso, S., et al.
Published: (2020)

Crystal structure and Hirshfeld analysis of the kryptoracemate: bis(mefloquinium) chloride p-fluorobenzenesulphonate
by: Jotani, Mukesh M., et al.
Published: (2016)

Bis(mefloquinium) butanedioate ethanol monosolvate: crystal structure and Hirshfeld surface analysis
by: Wardell, James L., et al.
Published: (2019)

Hydrazinium 2-amino-4-nitrobenzoate dihydrate: crystal structure and Hirshfeld surface analysis
by: Wardell, James L., et al.
Published: (2017)

A triclinic polymorph of tricyclohexylphosphane sulfide: crystal structure and Hirshfeld surface analysis
by: Tan, Yi Jiun *, et al.
Published: (2017)

2-[Carbamothioyl(2-hydroxyethyl)amino]ethyl benzoate: crystal structure, Hirshfeld surface analysis and computational study
by: Tan, Sang Loon *, et al.
Published: (2020)

A new monoclinic polymorph of N-(3-methylphenyl) ethoxycarbothioamide: Crystal structure and Hirshfeld surface analysis
by: Mukesh M,, et al.
Published: (2017)

(1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis
by: Zukerman-Schpector, Julio, et al.
Published: (2018)

Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0): Crystal structure and Hirshfeld surface analysis
by: Omar Shawkataly,, et al.
Published: (2018)

Two dialkylammonium salts of 2-amino-4-nitrobenzoic acid: crystal structures and Hirshfeld surface analysis
by: Wardell, James L., et al.
Published: (2016)

N,N′-Bis(pyridin-3-ylmethyl)ethanediamide monohydrate: crystal structure, Hirshfeld surface analysis and computational study
by: Tan, Sang Loon *, et al.
Published: (2020)

fac-Acetonitriletricarbonyl(dimethylcarbamodithioato-κ2S,S′)rhenium(I): crystal structure and Hirshfeld surface analysis
by: Tan, Sang Loon *, et al.
Published: (2017)

(N,N′-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
by: Farah N. H.,, et al.
Published: (2019)

(E)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis
by: Aqilah F. R.,, et al.
Published: (2020)

4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study
by: Khairuanuar, N. L., et al.
Published: (2020)

2,2′-(Disulfanediyl)dibenzoic acid N,N-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study
by: Tan, Sang Loon *, et al.
Published: (2020)