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W2256247002 abstract "The asymmetric unit of the title 2:1 co-crystal, 2C 8 H 8 O 2 ·C 14 H 14 N 4 O 2 , comprises an acid molecule in a general position and half a diamide molecule, the latter being located about a centre of inversion. In the acid, the carboxylic acid group is twisted out of the plane of the benzene ring to which it is attached [dihedral angle = 28.51 (8)°] and the carbonyl O atom and methyl group lie approximately to the same side of the molecule [hydroxy-O—C—C—C(H) torsion angle = −27.92 (17)°]. In the diamide, the central C 4 N 2 O 2 core is almost planar (r.m.s. deviation = 0.031 Å), and the pyridyl rings are perpendicular, lying to either side of the central plane [central residue/pyridyl dihedral angle = 88.60 (5)°]. In the molecular packing, three-molecule aggregates are formed via hydroxy-O—H...N(pyridyl) hydrogen bonds. These are connected into a supramolecular layer parallel to (12overline{2}) via amide-N—H...O(carbonyl) hydrogen bonds, as well as methylene-C—H...O(amide) interactions. Significant π–π interactions occur between benzene/benzene, pyridyl/benzene and pyridyl/pyridyl rings within and between layers to consolidate the three-dimensional packing." @default.
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W2256247002 date "2016-02-20" @default.
W2256247002 modified "2023-10-16" @default.
W2256247002 title "A 2:1 co-crystal of 2-methylbenzoic acid and<i>N</i>,<i>N</i>′-bis(pyridin-4-ylmethyl)ethanediamide: crystal structure and Hirshfeld surface analysis" @default.
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W2256247002 doi "https://doi.org/10.1107/s2056989016002735" @default.
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