Abstract
The title compound, C12H17I2O3P, was prepared in three steps from p-xylene. Heterodimers between nearly identical mol-ecules are connected via three hydrogen bonds from benzylic and ester methyl-ene groups to phospho-nate. The dimers form chains along the a-axis direction, stabilized by C-H⋯O bridges.
Highlights
The title compound, C12H17I2O3P, was prepared in three steps from p-xylene
Heterodimers between nearly identical molecules are connected via three hydrogen bonds from benzylic and ester methylene groups to phosphonate
In a project focusing on phenylenevinylene emissive materials (Sugioni & Detert, 2004; Schmitt et al, 2008, 2013) and their electrical and magnetic properties (Cambreet al., 2007; Nemkovich et al, 2010), the title compound was prepared as an intermediate for fluorophores with an E-type delayed emission and has been used for the synthesis of conjugated cruciforms (Zucchero et al, 2006)
Summary
In a project focusing on phenylenevinylene emissive materials (Sugioni & Detert, 2004; Schmitt et al, 2008, 2013) and their electrical and magnetic properties (Cambreet al., 2007; Nemkovich et al, 2010), the title compound was prepared as an intermediate for fluorophores with an E-type delayed emission and has been used for the synthesis of conjugated cruciforms (Zucchero et al, 2006). Heterodimers are formed via C—HÁ Á ÁO hydrogen bonds (Table 1) between nearly identical molecules A and B. The bond angles on the 1,2,4,5-tetrasubstituted ring nearly match the ideal 120, only the arene-methylene bond is slightly bent [125.6 (12) A, 123.4(13) B]. The A,B dimers are connected via three slightly bent C—HÁ Á ÁO hydrogen bridges: C7A—H7AÁ Á ÁO9B [3.275 (15) A , 154.3], C14A—H14BÁ Á ÁO9B [3.407 (18) A , 172.2], and C11B—H11DÁ Á ÁO9A [3.575 (18) A , 168.5]. Three further C—HÁ Á ÁO bridges connect neighbouring dimers to form chains along the a-axis direction (Fig. 2): C11A— H11AÁ Á ÁO9B [3.377 (17) A 157.9, B shifted À1 along a], C7B—H7CÁ Á ÁO9A [3.388 (15) A , 151.6, A shifted +1 along a] and C14B—H14DÁ Á ÁO9A [3.324 (19) A , 165.6, A shifted +1 along a]
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