1995
DOI: 10.1080/10587259508034572
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The Crystal and Molecular Structure of 4-Pentylphenyl-4′-Pentioxythiobenzoate (5S5)

Abstract: The 4-pentylphenyl-4'-pentox thiobenzoate (5S5), C,,H,,O,S, cr stallizes in the monoclinic system: space group P2,/c, a = 19.817 (2) 1, b = 5.585 (1) A, c = 20.238 (2) = 104.792 (8)', z = 4. The structure was solved by direct methods and refined to the final R=0.065, for 3415 observed reflections. The pentoxythiobezoate moiety is nearly planer. Molecular rows form an interclated structure. C-H ... 0 type short intermolecular contacts were found.

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Cited by 18 publications
(17 citation statements)
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“…(I) crystallizes in the non-centrosymmetric monoclinic space group P2 1 and participates in very weak intermolecular hydrogen bonds (Table 1). The observed structure of (I) is in good agreement with those determined for other S-phenyl thiobenzoates (Allouchi et al, 1995;Chrusciel et al, 1995;Ganesh et al, 2005;Jovanovski et al, 1993;Karczmarzyk et al, 2001;Low et al, 2000;Sakamoto et al, 1996;Takahashi, Sekine et al, 1998;Takahashi, Fujita et al, 1998).…”
Section: Commentsupporting
confidence: 88%
“…(I) crystallizes in the non-centrosymmetric monoclinic space group P2 1 and participates in very weak intermolecular hydrogen bonds (Table 1). The observed structure of (I) is in good agreement with those determined for other S-phenyl thiobenzoates (Allouchi et al, 1995;Chrusciel et al, 1995;Ganesh et al, 2005;Jovanovski et al, 1993;Karczmarzyk et al, 2001;Low et al, 2000;Sakamoto et al, 1996;Takahashi, Sekine et al, 1998;Takahashi, Fujita et al, 1998).…”
Section: Commentsupporting
confidence: 88%
“…Comparison with the earlier reported crystal structures of nOS5 homologues with n = 4, 5, 6 [Ossowska- Chruściel et al (2002), Chruściel et al (1995) and Karczmarzyk et al (2001), respectively] shows that the angle between the benzene rings in a molecule decreases with increasing length of the terminal C n H 2n+1 chain, but there is no distinct difference in this value for nematogenic homologues (n = 4, 5, 6) and 7OS5, the shortest of the smectogenic ones. A correspondence between the room-temperature crystal structures of 7OS5 and 6OS5 can be clearly noticed.…”
Section: Figurementioning
confidence: 50%
“…This makes the 7OS5 compound a particularly interesting homologue, as the one with the transitional length of the terminal carbon chain. In contrast to many experimental results regarding mesophases, the structures of crystal phases were reported only for three homologues with the shortest C n H 2n+1 carbon chain (n = 4, 5, 6) (Chruściel et al, 1995;Karczmarzyk et al, 2001;Ossowska-Chruściel et al, 2002).…”
Section: Introductionmentioning
confidence: 94%
See 1 more Smart Citation
“…The second mixture, B, is a multicomponent mixture of four achiral compounds from the homologous series 4- n -pentylphenyl-4′- n -alkoxythiobenzoates, n OS5 in short, consisting of 6OS5, 7OS5, 10OS5, and 12OS5. The mixture has been called 610712.…”
Section: Introductionmentioning
confidence: 99%