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Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pent-yloxy)benzoic acid-(E)-1,2-bis-(pyridin-4-yl)ethene (2/1) and 4-(n-hex-yloxy)benzoic acid-(E)-1,2-bis-(pyridin-4-yl)ethene (2/1).

ABSTRACT: The crystal structures of title hydrogen-bonded co-crystals, 2C12H16O3·C12H10N2, (I), and 2C13H18O3·C12H10N2, (II), have been determined at 93?K. In (I), the asymmetric unit consists of one 4-(n-pent-yloxy)benzoic acid mol-ecule and one half-mol-ecule of (E)-1,2-bis-(pyridin-4-yl)ethene, which lies about an inversion centre. The asymmetric unit of (II) comprises two crystallographically independent 4-(n-hex-yloxy)benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethene mol-ecule. In each crystal, the acid and base components are linked by O-H?N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit of the acid and the base. The 2:1 units are linked via C-H?? and ?-? inter-actions [centroid-centroid distances of 3.661?(2) and 3.909?(2)?Å for (I), and 3.546?(2)-3.725?(4)?Å for (II)], forming column structures. In (II), the base mol-ecule is orientationally disordered over two sets of sites approximately around the N?N mol-ecular axis, with an occupancy ratio of 0.647?(4):0.353?(4), and the average structure of the 2:1 unit adopts nearly pseudo-C2 symmetry. Both compounds show liquid-crystal behaviour.

SUBMITTER: Tabuchi Y 

PROVIDER: S-EPMC5137605 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(<i>n</i>-pent-yloxy)benzoic acid-(<i>E</i>)-1,2-bis-(pyridin-4-yl)ethene (2/1) and 4-(<i>n</i>-hex-yloxy)benzoic acid-(<i>E</i>)-1,2-bis-(pyridin-4-yl)ethene (2/1).

Tabuchi Yohei Y   Gotoh Kazuma K   Ishida Hiroyuki H  

Acta crystallographica. Section E, Crystallographic communications 20161108 Pt 12

The crystal structures of title hydrogen-bonded co-crystals, 2C<sub>12</sub>H<sub>16</sub>O<sub>3</sub>·C<sub>12</sub>H<sub>10</sub>N<sub>2</sub>, (I), and 2C<sub>13</sub>H<sub>18</sub>O<sub>3</sub>·C<sub>12</sub>H<sub>10</sub>N<sub>2</sub>, (II), have been determined at 93 K. In (I), the asymmetric unit consists of one 4-(<i>n</i>-pent-yloxy)benzoic acid mol-ecule and one half-mol-ecule of (<i>E</i>)-1,2-bis-(pyridin-4-yl)ethene, which lies about an inversion centre. The asymmetric unit of (II)  ...[more]

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