Abstract
The title compounds, C11H11N3O3, (I), and C10H10N2O2, (II), are commercially available and were crystallized from ethyl acetate solution. The dihedral angle between the pyrazole and phenyl rings in (I) is 52.34 (7)° and the equivalent angle between the isoxazole and phenyl rings in (II) is 7.30 (13)°. In the crystal of (I), the mol-ecules form carb-oxy-lic acid inversion dimers with an R(8) ring motif via pairwise O-H⋯O hydrogen bonds. In the crystal of (II), the mol-ecules are linked via N-H⋯N hydrogen bonds forming chains propagating along [010] with a C(5) motif. A weak N-H⋯π inter-action also features in the packing of (II). Hirshfeld surface analysis was used to explore the inter-molecular contacts in the crystals of both title compounds: the most important contacts for (I) are H⋯H (41.5%) and O⋯H/H⋯O (22.4%). For (II), the most significant contact percentages are H⋯H (36.1%) followed by C⋯H/H⋯C (31.3%).
Highlights
The title compounds, C11H11N3O3, (I), and C10H10N2O2, (II), are commercially available and were crystallized from ethyl acetate solution
A weak N—HÁ Á Á interaction features in the packing of (II)
Hirshfeld surface analysis was used to explore the intermolecular contacts in the crystals of both title compounds: the most important contacts for (I) are HÁ Á ÁH (41.5%) and OÁ Á ÁH/HÁ Á ÁO (22.4%)
Summary
This report is one of a series on the structures and hydrogenbonding motifs in small-molecule aromatic amino carboxylic acids (I) and small-molecule aromatic amino compounds (II). This study follows other reports including, for example, 3-aminopyrazine-2-carboxylic acid (Dobson & Gerkin, 1996), 5-aminoisophthalic acid hemihydrate (Dobson & Gerkin, 1998), and 1,4-dibenzylpiperazine-2,5-dione (Nunez, et al, 2004). We describe the structures of 5-amino-1-(4-methoxyphenyl)-pyrazole-4-carboxylic acid, (I) and 5-amino-3-(4methoxyphenyl)isoxazole, (II)
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More From: Acta crystallographica. Section E, Crystallographic communications
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