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Naphthalene-based bis-N-salicylidene aniline dyes: Crystal structures, Hirshfeld surface analysis, computational study and molecular docking with the SARS-CoV-2 proteins

ABSTRACT: In this work, we report structural and computational studies of a series of naphthalene-based bis-N-salicylidene aniline dyes, namely N,N′-bis-salicylidene-1,5-diaminonaphthalene (1), N,N′-bis(3-hydroxysalicylidene)-1,5-diaminonaphthalene (2) and N,N′-bis(3-methoxysalicylidene)-1,5-diaminonaphthalene (3). For 3, two polymorphs are known, namely 3red and 3yellow. Both polymorphs of 3 were analyzed and discussed. All the molecules adopt an enol-imine tautomer, stabilized by two intramolecular O–H

Supplementary Information

The online version contains supplementary material available at 10.1007/s13738-021-02438-y.

SUBMITTER: Burkhanova T

PROVIDER: S-EPMC8609272 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structures and Hirshfeld surface analysis of trans-bis-(thio-cyanato-κN)bis-{2,4,6-trimethyl-N-[(pyridin-2-yl)methyl-idene]aniline-κ2 N,N'}manganese(II) and trans-bis-(thio-cyanato-κN)bis-{2,4,6-trimethyl-N-[(pyridin-2-yl)methyl-idene]aniline-κ 2 N,N'}nickel(II)).

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| S-EPMC7001816 | biostudies-literature

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| S-EPMC7273984 | biostudies-literature

3,3-Bis(2-hy-droxy-eth-yl)-1-(4-methyl-benzoyl)thio-urea: crystal structure, Hirshfeld surface analysis and computational study.

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| S-EPMC6775753 | biostudies-literature

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