(R)-(+)-3,3′-(1,1′-Binaphthyl-2,2′-dioxy)diphthalonitrile benzene solvate

Xiao-Mei Zhang, Ji-Tao Lu
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 295 K; mean (C-C) = 0.008 Å; R factor = 0.052; wR factor = 0.148; data-to-parameter ratio = 8.8. White single crystals of the title compound, C 36 H 18 N 4 O 2 ÁC 6 H 6 , were obtained by reacting (R)-(+)-1,1 0 -bi-2-naphthol with 3nitrophthalonitrile and potassium carbonate and were recrystallized from benzene. The dihedral angle between the two naphthyl rings is 79.5(5) . The (R)-(+)-2,2'-Bis(2,3-dicyanophenyl)-1,1'-binaphthyl units are
more » ... units are connected together by the intermolecular \p-\p Experimental Crystal data C 36 H 18 N 4 O 2 ÁC 6 H 6 M r = 616.65 Orthorhombic, P2 1 2 1 2 1 a = 7.87830 (10) Å b = 12.2854 (2) Å c = 35.3968 (5) Å V = 3425.99 (9) Å 3 Z = 4 Mo K radiation = 0.08 mm À1 T = 295 (2) K 0.28 Â 0.16 Â 0.12 mm Data collection Bruker APEXII CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T min = 0.979, T max = 0.991 18358 measured reflections 3821 independent reflections 2647 reflections with I > 2(I) R int = 0.029 Refinement R[F 2 > 2(F 2 )] = 0.052 wR(F 2 ) = 0.149 S = 1.04 3821 reflections 433 parameters 15 restraints H-atom parameters constrained Á max = 0.28 e Å À3 Á min = À0.15 e Å À3
doi:10.1107/s1600536807040639 fatcat:xv63yqzdzvggnftqv3gdzmpz5a