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Methyl 2-[(carbamoyl-amino)-imino]-2-(3-{1-[(carbamoyl-amino)-imino]-2-meth-oxy-2-oxoeth-yl}phen-yl)acetate ethanol monosolvate monohydrate.

ABSTRACT: In the title compound, C(14)H(16)N(6)O(6)·C(2)H(6)O·H(2)O, both substit-uents of the benzene ring are approximately planar with maximum deviations from the mean plane of 0.0561?(12) (an imine N atom) and 0.1419?(11)?Å (a meth-oxy O atom). The substituents are tilted out of the plane of the benzene ring by 64.48?(4) and 70.08?(5)°, respectively. In the crystal, mol-ecules form centrosymmetric dimers associated via pairs of N-H?O hydrogen bonds. The dimers are linked via the water and ethanol mol-ecules, forming two-dimensional hydrogen-bond networks lying parallel to (100).

SUBMITTER: Ismatov D

PROVIDER: S-EPMC3275217 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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Methyl 2-[(carbamoyl-amino)-imino]-2-(3-{1-[(carbamoyl-amino)-imino]-2-meth-oxy-2-oxoeth-yl}phen-yl)acetate ethanol monosolvate monohydrate.

Ismatov Dilmurot D Azizov Umarkhon U Ashurov Jamshid J Talipov Samat S

Acta crystallographica. Section E, Structure reports online 20120121 Pt 2

In the title compound, C(14)H(16)N(6)O(6)·C(2)H(6)O·H(2)O, both substit-uents of the benzene ring are approximately planar with maximum deviations from the mean plane of 0.0561 (12) (an imine N atom) and 0.1419 (11) Å (a meth-oxy O atom). The substituents are tilted out of the plane of the benzene ring by 64.48 (4) and 70.08 (5)°, respectively. In the crystal, mol-ecules form centrosymmetric dimers associated via pairs of N-H⋯O hydrogen bonds. The dimers are linked via the water and ethanol mol- ...[more]

PMID: 22347073

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