Structures of 3,3'-(Selenodithio)dipropionic Acid and 3,3'-Dithiodipropionc Acid

Article abstract of DOI:10.1107/S0567740882010103

Se(SCH2CH2COOH)2, M_r = 289.22, forms monoclinic crystals, space group C2/c, with a = 23.283 (17), b = 9.027 (2), c = 4.997 (6) Angstroem, β = 97.09 (6)^o, V = 1042.28 Angstroem³, Z = 4, D_x = 1.843 Mg m^-3, F(000) = 575.98.The final R is 0.073 for 773 reflections.Se, located on a diad axis, is bonded to two S atoms with an Se-S bond length of 2.18 Angstroem, and S-Se-S angle 105^o, (SCH2CH2COOH)2, M_r = 210.26, is monoclinic, space group C2/c, with a = 5.4751 (1), b = 8.8691 (1), c = 18.930 (1) Angstroem, β = 95.800 (8)^o, V = 914.67 Angstroem³, Z = 4, D_x = 1.527 Mg m^-3, F(000) = 440.0.The final R value is 0.031 for 673 reflections.The S-S and S-C bond lengths are 2.033 (1) and 1.819 (3) Angstroem.