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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 D, Azizov U, Ashurov J, Talipov S - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: 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.The dimers are linked via the water and ethanol mol-ecules, forming two-dimensional hydrogen-bond networks lying parallel to (100).

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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).

No MeSH data available.


The molecular structure of title compound, with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: The molecular structure of title compound, with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.


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

Ismatov D, Azizov U, Ashurov J, Talipov S - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of title compound, with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275217&req=5

Fap1: The molecular structure of title compound, with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: 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.The dimers are linked via the water and ethanol mol-ecules, forming two-dimensional hydrogen-bond networks lying parallel to (100).

View Article: PubMed Central - HTML - PubMed

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).

No MeSH data available.