Ground state conformation of diphenylvinylphosphine sulfide and selenide

✍ Scribed by K. Michał Pietrusiewicz; Maciej Kuźnikowski; Wanda Wieczorek; Alberto Brandi

• Publisher: John Wiley and Sons
• Year: 1992
• Tongue: English
• Weight: 303 KB
• Volume: 3
• Category: Article
• ISSN: 1042-7163
• DOI: 10.1002/hc.520030108

✦ Synopsis

Abstract

Single‐crystal X‐ray diffraction experiments have been performed on diphenylvinylphosphine sulfide (1): C~14~H~13~PS, space group __P__2~1~/c, a = 10.186(1) Ǎ, b = 11.918(1) Å, c = 11.426 Å, β = 112.22(2)°, V = 1284.1(2) Å^3^, Z = 4, and diphenylvinylphosphine selenide (2): C~14~H~13~PSe, space group Pbca, a = 9.141 (3) Å, b = 16.458 (1) Å, c = 17.451 (1) Å, V = 2625.4 (9) Å^3^, Z = 8. The structures were solved by direct methods and were refined by full matrix least‐squares calculations to R = 0.046 and R~w~ = 0.058 using 2554 unique reflections with I > 3σ(I) in the case of 1, and to R = 0.052 and R~w~ = 0.065 using 1953 unique reflections with I > 3σ(I) in the case of 2. In close analogy to the previously studied vinyl phosphine oxides both 1 and 2 were found to exist in the s‐cis conformation with the pertinent CCPX dihedral angles equal to 12.5° and 2.9° for 1 and 2, respectively.