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Crystal and Molecular Structure of Two Organic Acid–Base Salts from Nicotinamide and Aromatic Acids

Research paper by Shouwen Jin, Daqi Wang, Qianli Linhe, Mingjun Fu, Siyuan Wu, Jiaqi Ren

Indexed on: 23 Apr '13Published on: 23 Apr '13Published in: Journal of chemical crystallography



Abstract

Two crystalline organic acid–base salts (nicotinamide):(3,5-dinitrosalicylic acid) [(HL+)···(3,5-dns−), 3,5-dns− = 3,5-dinitrosalicylate] (1), and (nicotinamide):(4-nitro-phthalic acid) [(HL+)···(Hnpa−), Hnpa− = 4-nitro-hydrogenphthalate] (2) derived from nicotinamide and aromatic carboxylic acids (3,5-dinitrosalicylic acid, and 4-nitro-phthalic acid) were prepared and characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. Compound 1 crystallizes in the monoclinic, space group P2(1)/c, with a = 4.7950(3) Å, b = 22.290(2) Å, c = 14.3901(13) Å, β = 104.861(2)º, V = 1486.6(2) Å3, Z = 4. Compound 2 crystallizes in the monoclinic, space group P2(1)/c, with a = 15.0173(14) Å, b = 12.9849(13) Å, c = 7.7281(6) Å, β = 111.6040(10)º, V = 1401.1(2) Å3, Z = 4. Both supramolecular architectures of the compounds 1–2 involve O–H···O/N–H···O hydrogen bonds as well as other noncovalent association. The role of these noncovalent interactions in the crystal packing is ascertained. For the presence of these weak noncovalent interactions, both compounds displayed 3D framework structure.

Graphical abstract 10.1007/s10870-013-0413-2.gif