Matches in SemOpenAlex for { <https://semopenalex.org/work/W1548656871> ?p ?o ?g. }
Showing items 1 to 96 of
96
with 100 items per page.
- W1548656871 abstract "4′-Methylazobenzene-2-sulfenyl thio-cyanate (MABS-SCN) was synthesized in an aqueous medium and characterized by 1H nuclear magnetic resonance, Fourier transform infrared spectroscopy, ultraviolet–visible spectroscopy, and elemental analysis. The crystal structure was confirmed by single crystal X-ray diffraction and its geometry was optimized in ground state by Hartree–Fock model and (B3LYP) density functional theory, and in solution (ethanol) using polarized continuum model at restricted HF using the basis set 6–31+G*. The compound crystallizes in orthorhombic space group Pbca, with unit cell parameters a = 7.165 (7) A, b = 18.846 (2) A, c = 20.379 (2) A, V = 2752.1 (5) A3, and Z = 8. It attains a planar thiadiazolium salt structure due to strong ortho azo–sulfur interaction imparting exceptional thermal stability, nonreactive solubility in aqueous medium, and high melting crystalline solid nature. A weak intramolecular CH…S type interaction, one CH…S type, four CH…N type intermolecular hydrogen bonds, and van der Waal's interactions are believed to be the stabilizing force for the crystal structure. MABS-SCN was also tested for antimicrobial activity." @default.
- W1548656871 created "2016-06-24" @default.
- W1548656871 creator A5013748846 @default.
- W1548656871 creator A5023100894 @default.
- W1548656871 creator A5037336039 @default.
- W1548656871 creator A5075157950 @default.
- W1548656871 creator A5077033716 @default.
- W1548656871 creator A5077316272 @default.
- W1548656871 date "2013-10-25" @default.
- W1548656871 modified "2023-09-27" @default.
- W1548656871 title "Antimicrobial Investigation and Structural Study of 4′-Methylazobenzene-2-sulfenyl Thiocyanate by X-Ray Diffraction, DFT, and Ab Initio HF Calculations" @default.
- W1548656871 cites W1516933842 @default.
- W1548656871 cites W1966450543 @default.
- W1548656871 cites W1977386039 @default.
- W1548656871 cites W1978835963 @default.
- W1548656871 cites W1978854151 @default.
- W1548656871 cites W2023271753 @default.
- W1548656871 cites W2027606815 @default.
- W1548656871 cites W2038903736 @default.
- W1548656871 cites W2048204704 @default.
- W1548656871 cites W2058603933 @default.
- W1548656871 cites W2111331292 @default.
- W1548656871 cites W2129579634 @default.
- W1548656871 cites W2131350133 @default.
- W1548656871 cites W2133524519 @default.
- W1548656871 cites W2143981217 @default.
- W1548656871 cites W4255442342 @default.
- W1548656871 doi "https://doi.org/10.1002/hc.21124" @default.
- W1548656871 hasPublicationYear "2013" @default.
- W1548656871 type Work @default.
- W1548656871 sameAs 1548656871 @default.
- W1548656871 citedByCount "2" @default.
- W1548656871 countsByYear W15486568712020 @default.
- W1548656871 countsByYear W15486568712022 @default.
- W1548656871 crossrefType "journal-article" @default.
- W1548656871 hasAuthorship W1548656871A5013748846 @default.
- W1548656871 hasAuthorship W1548656871A5023100894 @default.
- W1548656871 hasAuthorship W1548656871A5037336039 @default.
- W1548656871 hasAuthorship W1548656871A5075157950 @default.
- W1548656871 hasAuthorship W1548656871A5077033716 @default.
- W1548656871 hasAuthorship W1548656871A5077316272 @default.
- W1548656871 hasConcept C112887158 @default.
- W1548656871 hasConcept C115624301 @default.
- W1548656871 hasConcept C147597530 @default.
- W1548656871 hasConcept C152365726 @default.
- W1548656871 hasConcept C153642686 @default.
- W1548656871 hasConcept C166950319 @default.
- W1548656871 hasConcept C178790620 @default.
- W1548656871 hasConcept C185592680 @default.
- W1548656871 hasConcept C2781442258 @default.
- W1548656871 hasConcept C32909587 @default.
- W1548656871 hasConcept C37243968 @default.
- W1548656871 hasConcept C71240020 @default.
- W1548656871 hasConcept C75079739 @default.
- W1548656871 hasConcept C8010536 @default.
- W1548656871 hasConceptScore W1548656871C112887158 @default.
- W1548656871 hasConceptScore W1548656871C115624301 @default.
- W1548656871 hasConceptScore W1548656871C147597530 @default.
- W1548656871 hasConceptScore W1548656871C152365726 @default.
- W1548656871 hasConceptScore W1548656871C153642686 @default.
- W1548656871 hasConceptScore W1548656871C166950319 @default.
- W1548656871 hasConceptScore W1548656871C178790620 @default.
- W1548656871 hasConceptScore W1548656871C185592680 @default.
- W1548656871 hasConceptScore W1548656871C2781442258 @default.
- W1548656871 hasConceptScore W1548656871C32909587 @default.
- W1548656871 hasConceptScore W1548656871C37243968 @default.
- W1548656871 hasConceptScore W1548656871C71240020 @default.
- W1548656871 hasConceptScore W1548656871C75079739 @default.
- W1548656871 hasConceptScore W1548656871C8010536 @default.
- W1548656871 hasLocation W15486568711 @default.
- W1548656871 hasOpenAccess W1548656871 @default.
- W1548656871 hasPrimaryLocation W15486568711 @default.
- W1548656871 hasRelatedWork W1968436030 @default.
- W1548656871 hasRelatedWork W1985232513 @default.
- W1548656871 hasRelatedWork W1989259840 @default.
- W1548656871 hasRelatedWork W1989321722 @default.
- W1548656871 hasRelatedWork W2013627119 @default.
- W1548656871 hasRelatedWork W2019892253 @default.
- W1548656871 hasRelatedWork W2021601909 @default.
- W1548656871 hasRelatedWork W2027182172 @default.
- W1548656871 hasRelatedWork W2032800199 @default.
- W1548656871 hasRelatedWork W2045240156 @default.
- W1548656871 hasRelatedWork W2046326674 @default.
- W1548656871 hasRelatedWork W2081662011 @default.
- W1548656871 hasRelatedWork W2089842380 @default.
- W1548656871 hasRelatedWork W2128895475 @default.
- W1548656871 hasRelatedWork W2595728652 @default.
- W1548656871 hasRelatedWork W2778614384 @default.
- W1548656871 hasRelatedWork W2906671060 @default.
- W1548656871 hasRelatedWork W3156388874 @default.
- W1548656871 hasRelatedWork W3197131748 @default.
- W1548656871 hasRelatedWork W911293939 @default.
- W1548656871 isParatext "false" @default.
- W1548656871 isRetracted "false" @default.
- W1548656871 magId "1548656871" @default.
- W1548656871 workType "article" @default.