3,5-Dichloro-4-cyanobenzoic Acid Co-crystals with Carbon Tetrachloride, Naphthalene, and Anthracene

作者：Britton Doyle^*

来源：Journal of Chemical Crystallography, 2012, 42(8): 851-855.

DOI：10.1007/s10870-012-0324-7

• Cl ... N interactions
• Hydrogen bonding
• Co-crystals
• Packing

The title compound, C8H3Cl2NO2 (M), forms co-crystals with carbon tetrachloride, M/CCl4; naphthalene, M/1/2C(10)H(8); and anthracene, M/1/2C(14)H(10). Cell parameters for M/CCl4: a = 8.8657(10) , b = 8.9393(10) , c = 10.2658(12) , alpha = 66.622(2)A degrees, beta A = 69.510(2)A degrees, gamma A = 71.968(2)A degrees, space group P-1. Cell parameters for M/1/2C(10)H(8): a = 8.0304(13) , b = 9.0112(14) , c = 9.4742(15) , alpha = 112.282(3)A degrees, beta A = 100.378(3)A degrees, gamma A = 91.968(3)A degrees, space group P-1. Cell parameters for M/1/2C(14)H(10) a = 5.8893(7) , b = 7.3885(9) , c = 15.4098(18) , alpha = 87.972(2)A degrees, beta A = 82.242(2)A degrees, gamma A = 78.085(2)A degrees, space group P-1. In each case the benzoic acid groups interact to form dimers of M with an R (2) (2) (8) motif. The dimers are linked together through CN center dot center dot center dot Cl intermolecular interactions with an R (2) (2) (10) motif to form chains or sheets. With the exception of one CN center dot center dot center dot CCl4 interaction, the other molecule in each co-crystal is packed between chains (carbon tetrachloride) or in holes in the sheets (naphthalene and anthracene).
3,5-Dichloro-4-cyanobenzoic, which has interwoven sheets in the pure state, can be directed into planar layers, with a co-crystalline partner.

• 出版日期2012-8