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Crystal structure of 4-[(2-hy-droxy-3-meth-oxy-benz-yl)amino]-benzoic acid hemihydrate.

ABSTRACT: In the crystal of the title vanilline derivative, 2C₁₅H₁₅NO₄·H₂O, the secondary amine mol-ecule is accompanied by half equivalent of water. The mol-ecule is non-planar, with torsion angle C_ar-yl-CH₂-NH-C_ar-yl of -83.9?(2)°. In the crystal, the system of O-H?O hydrogen bonds, including bridging water mol-ecules residing on crystallographic twofold axes, results in a two-dimensional layered structure. Within the layers, there are also weak N-H?? inter-actions involving the vanilline benzene ring.

SUBMITTER: Kamaal S

PROVIDER: S-EPMC6362667 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of 4-[(2-hy-droxy-3-meth-oxy-benz-yl)amino]-benzoic acid hemihydrate.

Kamaal Saima S Faizi Md Serajul Haque MSH Ali Arif A Ahmad Musheer M Gupta Mayank M Dege Necmi N Iskenderov Turganbay T

Acta crystallographica. Section E, Crystallographic communications 20190108 Pt 2

In the crystal of the title vanilline derivative, 2C15H15NO4·H2O, the secondary amine mol-ecule is accompanied by half equivalent of water. The mol-ecule is non-planar, with torsion angle Car-yl-CH2-NH-Car-yl of -83.9 (2)°. In the crystal, the system of O-H⋯O hydrogen bonds, including bridging water mol-ecules residing on crystallographic twofold axes, results in a two-dimensional layered structure. Within the layers, t ...[more]

PMID: 30800443

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