Gas-crystal photoreaction: the structures of 4,4'-dimethoxy(thiobenzophenone) (I), C15H14O2S, and 4,4'-bis(dimethylamino)thiobenzophenone (II), C17H20N2S

Arjunan, P. ; Ramamurthy, V. ; Venkatesan, K. (1984) Gas-crystal photoreaction: the structures of 4,4'-dimethoxy(thiobenzophenone) (I), C15H14O2S, and 4,4'-bis(dimethylamino)thiobenzophenone (II), C17H20N2S Acta Crystallographica Section C, 40 (3). pp. 552-555. ISSN 0108-2701

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Official URL: http://scripts.iucr.org/cgi-bin/paper?a23489

Related URL: http://dx.doi.org/10.1107/S0108270184004832

Abstract

(I): Mr=258.34, triclinic, P1, a=9.810 (3), b=9.635(3), c=15.015(4) Å, α=79.11(2), β=102.38 (3), γ=107.76 (3)°, V=1308.5 Å3, Z=4, Dm=1.318 (3) (by flotation in KI solution), Dx=1.311 g cm-3, Cu K α, λ=1.5418 Å, μ=20.05 cm-1, F(000)=544, T=293 K, R=0.074 for 2663 reflections. (II): Mr = 284.43, monoclinic, P21/c, a= 17.029 (5), b=6.706 (5), c=14.629 (4), β=113.55 (2)° , V=1531.4 Å3, Z=4, Dm=1.230(5) (by flotation in KI solution), Dx=1.234g cm-3, Mo Kα, λ=0.7107 Å, μ=1.63 cm-1; F(000)=608, T=293 K, R=0.062 for 855 reflections. The orientation of the C=S chromophores in the crystal lattice and their reactivity in the crystalline state are discussed. The C=S bonds are much shorter than the normal bond length [1.605 (4) (I), 1.665 (8) Å (II) cf. 1.71 Å].

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