Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(<scp>vi</scp>) complexes with an ONS donor ligand: DFT calculations and biological study

Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Chakraborty, Nirmalya; Acharya, Krishnendu; Mandal, Sandip; Ghosh, Saktiprosad; Drew, Michael G. B.; Mondal, Tapan Kumar; Biswas, Sujan

doi:10.1039/c4nj02225d

Cited by 28 publications

(9 citation statements)

References 60 publications

(52 reference statements)

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“…The three remaining structures have a methyl substituent at the imine-C atom. Two of these have 2-OH substituents in the benzene ring, one with R = benzyl (QUCLIL; Biswal et al, 2015), with a twisted conformation, and the other with R = CH 2 CH 2 (NILRII; Lima et al, 2018), being a planar molecule. The sixth and final analogue is a 3-OH derivative with R = benzyl (LUBNIH; Zangrando et al, 2015); this molecule exhibits a twisted conformation in its crystal.…”

Section: Database Surveymentioning

confidence: 99%

4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study

et al. 2020

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The title hydrazine carbodithioate chloroform hemisolvate, 2C15H14N2O2S2·CHCl3, comprises two independent hydrazine carbodithioate molecules, A and B, and a chloroform molecule; the latter is statistically disordered about its molecular threefold axis. The common features of the organic molecules include an almost planar, central CN2S2 chromophore [r.m.s. deviation = 0.0203 Å (A) and 0.0080 Å (B)], an E configuration about the imine bond and an intramolecular hydroxyl-O—H...N(imine) hydrogen bond. The major conformational difference between the molecules is seen in the relative dispositions of the phenyl rings as indicated by the values of the dihedral angles between the central plane and phenyl ring of 71.21 (6)° (A) and 54.73 (7)° (B). Finally, a difference is seen in the disposition of the outer hydroxyl-H atoms, having opposite relative orientations. In the calculated gas-phase structure, the entire molecule is planar with the exception of the perpendicular phenyl ring. In the molecular packing, the A and B molecules assemble into a two-molecule aggregate via N—H...S hydrogen bonds and eight-membered {...HNCS}2 synthons. The dimeric assemblies are connected into supramolecular chains via hydroxyl-O—H...O(hydroxyl) hydrogen bonds and these are linked into a double-chain through hydroxy-O—H...π(phenyl) interactions. The double-chains are connected into a three-dimensional architecture through phenyl-C—H...O(hydroxyl) and phenyl-C—H...π(phenyl) interactions. The overall assembly defines columns along the a-axis direction in which reside the chloroform molecules, which are stabilized by chloroform–methine-C—H...S(thione) and phenyl-C—H...Cl contacts. The analysis of the calculated Hirshfeld surfaces, non-covalent interaction plots and interaction energies confirm the importance of the above-mentioned interactions, but also of cooperative, non-standard interactions such as π(benzene)...π(hydrogen-bond-mediated-ring) contacts.

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Section: Database Surveymentioning

confidence: 99%

4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study

et al. 2020

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“…6 The DPPH reagent is a stable organic nitrogen radical which has a deep purple colour with maximum absorption at 517 nm. 19 When a solution of DPPH is mixed with a substrate (RH) that can donate a hydrogen atom, DPPH will turn into the reduced form with the loss of the violet colour. Meanwhile, the compound-derived free radicals have different spectral characteristics or they may further react with DPPH and thus have different retention characteristics.…”

Section: Screening Radical Scavengers Using Dpph-hplc-dadmentioning

confidence: 99%

DPPH-HPLC-DAD analysis combined HSCCC for screening and identification of radical scavengers in Cynomorium songaricum Rupr.

et al. 2016

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“…Database survey A search of the CSD (Version 5.36; Groom & Allen 2014) gave three structures (VAHYAE: Dunstan et al, 1998;FIVQAD Liu et al, 2005;CUHHET: How et al, 2009) closely related to the title compound. S-benzyl--N-(2-hydroxyphenylethylidene)dithiocarbazate was prepared by Pramanik et al (2007) and its crystal structure was reported by Biswal et al (2015).…”

Section: Supramolecular Featuresmentioning

confidence: 99%

Crystal structure of 1,2-bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane

Islam

Sheikh

Miyatake

et al. 2016

Acta Crystallogr E Cryst Commun

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Lewis base controlled supramolecular architectures via non-covalent interactions of dioxomolybdenum(vi) complexes with an ONS donor ligand: DFT calculations and biological study

Abstract: Fascinating supramolecular frameworks of Mo(vi) complexes.

Cited by 28 publications

References 60 publications

4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study

4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study

DPPH-HPLC-DAD analysis combined HSCCC for screening and identification of radical scavengers in Cynomorium songaricum Rupr.

Crystal structure of 1,2-bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane

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