Matches in SemOpenAlex for { <https://semopenalex.org/work/W1983758690> ?p ?o ?g. }
Showing items 1 to 54 of
54
with 100 items per page.
- W1983758690 endingPage "1242" @default.
- W1983758690 startingPage "1240" @default.
- W1983758690 abstract "M r = 339.44, monoclinic, P2Jc, a = 7.640(3), b- 13.499 (2), c= 15.587 (6)A, t= 96.818 (11) °, V= 1596.2 (9) A 3, Z= 4, Ox= 1.41 gcm -a, 2(Mo K~t) = 0.71069 A, g = 3.27 cm -~, F(000)=704, T= 163K, R=0.041 for 2856 ob- served reflections. Close, non-bonded interactions of 2.733 (2) and 2.748 (2)A are observed between the S atoms and the O atoms. The nitro group is twisted out of the plane of the central phenyl ring by 40.69 (7) °. The molecule has approximate twofold symmetry with the twofold axis lying along the C-N bond axis and, therefore, the terminal phenyl rings are equivalent. Introduction. Analysis of the IaC NMR spin lattice (T~) relaxation measurements of 3-nitro-2-(2-pyridylthio)- pyridine (Kimura, Simonsen, Caldwell & Martin, 1981) showed the non-nitro-substituted pyridine ring to reorient anisotropieally by free rotation about the C-S bond while the nitro-substituted ring did not. A subsequent X-ray structure determination showed a close S...O contact and asymmetric C-S bond distances with the shorter distance being to the C atom of the substituted ring. It was concluded that this S...O contact inhibited free rotation of the substituted ring in solution and was responsible for the difference in the motional behavior of the rings. Preliminary ~3C NMR studies on the title compound indicated that the terminal phenyl rings were non-equivalent and an X-ray structure determination was undertaken to see if such asymmetry persisted in the solid state as well. Experimental. The title compound was synthesized by the method of Miller (1976), and a yellow, plate-like crystal of approximate dimensions 0.40 × 0.66 × 0.15 mm was cut from a larger crystal obtained by slow evaporation from an ethanol solution. Data collected on a Syntex P21 diffractometer with a graphite monochromator and equipped with Syntex LT-1 low- temperature delivery system. Lattice parameters ob- tained by least-squares refinement of setting angles of 45 reflections with 20 between 21.2 and 30.0 °. og-Scan technique, 3668 unique reflections, 20 range 4-55 ° ," @default.
- W1983758690 created "2016-06-24" @default.
- W1983758690 creator A5007179578 @default.
- W1983758690 creator A5015783374 @default.
- W1983758690 creator A5017591396 @default.
- W1983758690 creator A5079868859 @default.
- W1983758690 creator A5000995293 @default.
- W1983758690 date "1985-08-15" @default.
- W1983758690 modified "2023-09-26" @default.
- W1983758690 title "Structure of 2-nitro-1,3-bis(phenylthio)benzene, C18H13NO2S2" @default.
- W1983758690 doi "https://doi.org/10.1107/s0108270185007272" @default.
- W1983758690 hasPublicationYear "1985" @default.
- W1983758690 type Work @default.
- W1983758690 sameAs 1983758690 @default.
- W1983758690 citedByCount "1" @default.
- W1983758690 crossrefType "journal-article" @default.
- W1983758690 hasAuthorship W1983758690A5000995293 @default.
- W1983758690 hasAuthorship W1983758690A5007179578 @default.
- W1983758690 hasAuthorship W1983758690A5015783374 @default.
- W1983758690 hasAuthorship W1983758690A5017591396 @default.
- W1983758690 hasAuthorship W1983758690A5079868859 @default.
- W1983758690 hasConcept C155647269 @default.
- W1983758690 hasConcept C178790620 @default.
- W1983758690 hasConcept C185592680 @default.
- W1983758690 hasConcept C2777691172 @default.
- W1983758690 hasConcept C2780263894 @default.
- W1983758690 hasConcept C2780639532 @default.
- W1983758690 hasConceptScore W1983758690C155647269 @default.
- W1983758690 hasConceptScore W1983758690C178790620 @default.
- W1983758690 hasConceptScore W1983758690C185592680 @default.
- W1983758690 hasConceptScore W1983758690C2777691172 @default.
- W1983758690 hasConceptScore W1983758690C2780263894 @default.
- W1983758690 hasConceptScore W1983758690C2780639532 @default.
- W1983758690 hasIssue "8" @default.
- W1983758690 hasLocation W19837586901 @default.
- W1983758690 hasOpenAccess W1983758690 @default.
- W1983758690 hasPrimaryLocation W19837586901 @default.
- W1983758690 hasRelatedWork W2007991463 @default.
- W1983758690 hasRelatedWork W2045150733 @default.
- W1983758690 hasRelatedWork W2046445487 @default.
- W1983758690 hasRelatedWork W2055787245 @default.
- W1983758690 hasRelatedWork W2121246141 @default.
- W1983758690 hasRelatedWork W2226941258 @default.
- W1983758690 hasRelatedWork W2335353383 @default.
- W1983758690 hasRelatedWork W2949064494 @default.
- W1983758690 hasRelatedWork W3011824861 @default.
- W1983758690 hasRelatedWork W326422860 @default.
- W1983758690 hasVolume "41" @default.
- W1983758690 isParatext "false" @default.
- W1983758690 isRetracted "false" @default.
- W1983758690 magId "1983758690" @default.
- W1983758690 workType "article" @default.