FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2095804875> ?p ?o ?g. }

• W2095804875 endingPage "4549" @default.
• W2095804875 startingPage "4549" @default.
• W2095804875 abstract "A series of four biologically active 2-benzamido-5-(4-fluoro-3-phenoxyphenyl)-1,3,4-thiadiazoles derivatives have been synthesized and their crystal structures have been studied with systematic variations in the functional group at the para position of the benzamido ring. The molecular geometry of all these compounds is found to be L-shaped and their molecular conformation is found to be stabilized via S⋯O and F⋯C (lp⋯π) contacts. The lattice energies of these crystal structures have been calculated by PIXEL. Detailed quantitative analysis of the crystal packing have been performed with calculation of the interaction energies of the extracted molecular pairs from the crystal packing using PIXEL and these are further supported with inputs from high level DFT + Disp quantum mechanical calculations. The isostructurality present in the crystal packing has been investigated using XPAC. The Hirshfeld surfaces and consequently the fingerprint analysis have been performed to study the nature of interactions and their quantitative contributions towards the crystal packing. The electrostatic potential has been mapped over the Hirshfeld surface to explore the electrostatic complementarity which exists in the crystal packing. It is found that the weak interactions, such as C–H⋯OC/O–C, C–H⋯π, C–H⋯F, lp⋯π, π⋯π are significant contributors in the stabilization of the crystal packing in addition to the presence of strong N–H⋯N hydrogen bonds. It was observed that they are not only responsible for the alteration in the crystal structures, but their presence does provide extra stabilization in the absence of any structural change." @default.
• W2095804875 created "2016-06-24" @default.
• W2095804875 creator A5011875537 @default.
• W2095804875 creator A5020543348 @default.
• W2095804875 creator A5055445932 @default.
• W2095804875 creator A5074001140 @default.
• W2095804875 creator A5076011208 @default.
• W2095804875 date "2013-01-01" @default.
• W2095804875 modified "2023-10-02" @default.
• W2095804875 title "Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives" @default.
• W2095804875 cites W1967549971 @default.
• W2095804875 cites W1968339413 @default.
• W2095804875 cites W1968779347 @default.
• W2095804875 cites W1972493784 @default.
• W2095804875 cites W1979368277 @default.
• W2095804875 cites W1996714795 @default.
• W2095804875 cites W1998157504 @default.
• W2095804875 cites W1998287126 @default.
• W2095804875 cites W2000429121 @default.
• W2095804875 cites W2000880289 @default.
• W2095804875 cites W2008997084 @default.
• W2095804875 cites W2012488984 @default.
• W2095804875 cites W2013176211 @default.
• W2095804875 cites W2014559230 @default.
• W2095804875 cites W2015569806 @default.
• W2095804875 cites W2021117706 @default.
• W2095804875 cites W2026453567 @default.
• W2095804875 cites W2028022118 @default.
• W2095804875 cites W2029347914 @default.
• W2095804875 cites W2032842297 @default.
• W2095804875 cites W2044591029 @default.
• W2095804875 cites W2049014538 @default.
• W2095804875 cites W2051697835 @default.
• W2095804875 cites W2059020082 @default.
• W2095804875 cites W2060414615 @default.
• W2095804875 cites W2063334178 @default.
• W2095804875 cites W2065391920 @default.
• W2095804875 cites W2070073430 @default.
• W2095804875 cites W2073272057 @default.
• W2095804875 cites W2074739963 @default.
• W2095804875 cites W2077156925 @default.
• W2095804875 cites W2080182825 @default.
• W2095804875 cites W2087401283 @default.
• W2095804875 cites W2088222298 @default.
• W2095804875 cites W2092157292 @default.
• W2095804875 cites W2097403513 @default.
• W2095804875 cites W2113859472 @default.
• W2095804875 cites W2123165315 @default.
• W2095804875 cites W2129785797 @default.
• W2095804875 cites W2131350133 @default.
• W2095804875 cites W2134374799 @default.
• W2095804875 cites W2138178106 @default.
• W2095804875 cites W2145538332 @default.
• W2095804875 cites W2146581253 @default.
• W2095804875 cites W2148941593 @default.
• W2095804875 cites W2163018860 @default.
• W2095804875 cites W2164742165 @default.
• W2095804875 cites W2324384987 @default.
• W2095804875 cites W2332217850 @default.
• W2095804875 doi "https://doi.org/10.1039/c3ce40278a" @default.
• W2095804875 hasPublicationYear "2013" @default.
• W2095804875 type Work @default.
• W2095804875 sameAs 2095804875 @default.
• W2095804875 citedByCount "47" @default.
• W2095804875 countsByYear W20958048752014 @default.
• W2095804875 countsByYear W20958048752015 @default.
• W2095804875 countsByYear W20958048752016 @default.
• W2095804875 countsByYear W20958048752017 @default.
• W2095804875 countsByYear W20958048752018 @default.
• W2095804875 countsByYear W20958048752019 @default.
• W2095804875 countsByYear W20958048752020 @default.
• W2095804875 countsByYear W20958048752021 @default.
• W2095804875 countsByYear W20958048752022 @default.
• W2095804875 countsByYear W20958048752023 @default.
• W2095804875 crossrefType "journal-article" @default.
• W2095804875 hasAuthorship W2095804875A5011875537 @default.
• W2095804875 hasAuthorship W2095804875A5020543348 @default.
• W2095804875 hasAuthorship W2095804875A5055445932 @default.
• W2095804875 hasAuthorship W2095804875A5074001140 @default.
• W2095804875 hasAuthorship W2095804875A5076011208 @default.
• W2095804875 hasConcept C112887158 @default.
• W2095804875 hasConcept C115624301 @default.
• W2095804875 hasConcept C131468747 @default.
• W2095804875 hasConcept C178790620 @default.
• W2095804875 hasConcept C185592680 @default.
• W2095804875 hasConcept C199360897 @default.
• W2095804875 hasConcept C2781285689 @default.
• W2095804875 hasConcept C32909587 @default.
• W2095804875 hasConcept C41008148 @default.
• W2095804875 hasConcept C8010536 @default.
• W2095804875 hasConceptScore W2095804875C112887158 @default.
• W2095804875 hasConceptScore W2095804875C115624301 @default.
• W2095804875 hasConceptScore W2095804875C131468747 @default.
• W2095804875 hasConceptScore W2095804875C178790620 @default.
• W2095804875 hasConceptScore W2095804875C185592680 @default.
• W2095804875 hasConceptScore W2095804875C199360897 @default.
• W2095804875 hasConceptScore W2095804875C2781285689 @default.
• W2095804875 hasConceptScore W2095804875C32909587 @default.

• next