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2,5-Bis[(3-hy-droxy-prop-yl)amino]-1,4-benzoquinone monohydrate.

ABSTRACT: The title compound, C(12)H(18)N(2)O(4)·H(2)O, was obtained as a product of the reaction of hydro-quinone with n-propanol amine. The compound crystallizes as a monohydrate, integrating water into its hydrogen-bonded network. Each diamino-quinone moiety forms two centrosymmetric 10-membered rings through C=O?H-N bonds. The resulting bands along [102] are inter-linked through hy-droxy groups and water mol-ecules into three-dimensional network. The chemically equivalent bond lengths in the diamino-quinone moiety exhibit a perceptible discrepancy [e.g. C=O bond lengths differ by 0.016?(2)?Å], apparently as a result of asymmetric hydrogen bonding: one O atom serves as an acceptor of one hydrogen bond, whereas the other is an acceptor of two.

SUBMITTER: Wang J

PROVIDER: S-EPMC3152041 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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2,5-Bis[(3-hy-droxy-prop-yl)amino]-1,4-benzoquinone monohydrate.

Wang Jian J Liu Weiwei W Guan Tongwei T Yin Fujun F Sun Yuxi Y

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The title compound, C(12)H(18)N(2)O(4)·H(2)O, was obtained as a product of the reaction of hydro-quinone with n-propanol amine. The compound crystallizes as a monohydrate, integrating water into its hydrogen-bonded network. Each diamino-quinone moiety forms two centrosymmetric 10-membered rings through C=O⋯H-N bonds. The resulting bands along [102] are inter-linked through hy-droxy groups and water mol-ecules into three-dimensional network. The chemically equivalent bond lengths in the diamino-q ...[more]

PMID: 21837038

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