3-[3-(3-Pyridyloxy)pyrazin-2-yloxy]pyridinium perchlorate

Jin Min Li
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.005 Å; R factor = 0.064; wR factor = 0.233; data-to-parameter ratio = 14.9. In the crystal structure of the title compound, C 14 H 11 N 4 O 2 + ÁClO 4 À , the cations are connected by intermolecular N-HÁ Á ÁN hydrogen bonds to form one-dimensional chains along the a axis, while weak intermolecular C-HÁ Á ÁO hydrogen bonds connect the cations to the perchlorate anions. In the cation, the dihedral angles between the pyrazine
more » ... een the pyrazine ring and the two pyridine rings are 71.00 (16) and 64.59 (16) , and the dihedral angle between the two pyridine rings is 12.02 (16) . Related literature For a related structure, see: McMorran & Steel (2002). For related literature, see: Allen et al. (1987). Experimental Crystal data C 14 H 11 N 4 O 2 + ÁClO 4 À M r = 366.72 Monoclinic, P2 1 =c a = 11.557 (3) Å b = 9.815 (2) Å c = 13.955 (3) Å = 100.444 (4) V = 1556.8 (6) Å 3 Z = 4 Mo K radiation = 0.29 mm À1 T = 298 (2) K 0.23 Â 0.18 Â 0.16 mm Data collection Bruker SMART APEX CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.937, T max = 0.955 9181 measured reflections 3365 independent reflections 2041 reflections with I > 2(I) R int = 0.047 Refinement R[F 2 > 2(F 2 )] = 0.064 wR(F 2 ) = 0.233 S = 0.78 3365 reflections 226 parameters H-atom parameters constrained Á max = 0.56 e Å À3
doi:10.1107/s1600536807036367 fatcat:m2hkydrnynftpotpefb2jlvab4