A 1:2 co-crystal of 2,2'-thiodi-benzoic acid and tri-phenyl-phosphane oxide: crystal structure, Hirshfeld surface analysis and computational study.

ABSTRACT: The asymmetric unit of the title co-crystal, 2,2'-thiodi-benzoic acid-tri-phenyl-phosphane oxide (1/2), C₁₄H₁₀O₄S·2C₁₈H₁₅OP, comprises two mol-ecules of 2,2'-thiodi-benzoic acid [TDBA; systematic name: 2-[(2-carb-oxy-phen-yl)sulfan-yl]benzoic acid] and four mol-ecules of tri-phenyl-phosphane oxide [TPPO; systematic name: (di-phenyl-phosphor-yl)benzene]. The two TDBA mol-ecules are twisted about their di-sulfide bonds and exhibit dihedral angles of 74.40 (5) and 72.58 (5)° between the planes through the two SC₆H₄ residues. The carb-oxy-lic acid groups are tilted out of the planes of the rings to which they are attached forming a range of CO₂/C₆ dihedral angles of 19.87 (6)-60.43 (8)°. Minor co

SUBMITTER: Tan SL 

PROVIDER: S-EPMC6281110 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature