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).

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275217PMC
http://dx.doi.org/10.1107/S1600536812001237DOI Listing

Publication Analysis

Top Keywords

benzene ring
8
methyl 2-[carbamoyl-amino-imino]-2-3-{1-[carbamoyl-amino-imino]-2-meth-oxy-2-oxoeth-yl}phen-ylacetate
4
2-[carbamoyl-amino-imino]-2-3-{1-[carbamoyl-amino-imino]-2-meth-oxy-2-oxoeth-yl}phen-ylacetate ethanol
4
ethanol monosolvate
4
monosolvate monohydrate
4
monohydrate title
4
title compound
4
compound c14h16n6o6·c2h6o·h2o
4
c14h16n6o6·c2h6o·h2o substit-uents
4
substit-uents benzene
4

Similar Publications

D-glucose-conjugated thioureas containing 2-aminopyrimidine as potential multitarget inhibitors for type 2 diabetes mellitus: Synthesis and biological activity study.

Comput Biol Med

January 2025

Faculty of Chemistry, University of Science (Vietnam National University, Hanoi), 19 Le Thanh Tong, Hoan Kiem, Ha Noi, Viet Nam; VNU University of Education, Vietnam National University, Hanoi, 144 Xuan Thuy, Cau Giay, Ha Noi, Viet Nam.

α-d-Glucose-conjugated thioureas 8a-w of substituted 4,6-diaryl-2-aminopyrimindines were designed, synthesized, and screened for their antidiabetic inhibitory activity. The thioureas with the strongest potential inhibitory activity included 8f (IC = 11.32 ± 0.

View Article and Find Full Text PDF

Cooperation Between and for Carbendazim Degradation.

Microorganisms

December 2024

Departamento de Bioquímica, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Prolongación de Carpio y Plan de Ayala S/N, Col. Santo Tomás, Mexico City 11340, Mexico.

Carbendazim (CBZ) is a fungicide widely used on different crops, including soybeans, cereals, cotton, tobacco, peanuts, and sugar beet. Excessive use of this xenobiotic causes environmental deterioration and affects human health. Microbial metabolism is one of the most efficient ways of carbendazim elimination.

View Article and Find Full Text PDF

Gold(I)-catalyzed intramolecular hydroarylation of dialkynyl(biaryl)phosphine oxides provided versatile benzo-fused phosphepine oxides. O-exo adducts were obtained as the major product, and O-endo adducts were the minor product. O-exo and O-endo indicate the position of an oxygen atom with respect to the central phosphepine framework.

View Article and Find Full Text PDF

Modular access to saturated bioisosteres of anilines via photoelectrochemical decarboxylative C(sp)-N coupling.

Nat Commun

January 2025

Frontiers Science Center for Transformative Molecules, School of Chemistry and Chemical Engineering, Zhangjiang Institute for Advanced Study, Shanghai Jiao Tong University, Shanghai, 200240, China.

In drug development, the substitution of benzene rings in aniline-based drug candidates with saturated bridged bicyclic ring systems often enhances pharmacokinetic properties while preserving biological activity. However, current efforts predominantly focuses on bicyclo[1.1.

View Article and Find Full Text PDF

The elimination of the A' unit from -type Y6-derivatives has led to the development of a new class of -benzodipyrrole (-BDP)-based A-DBD-A-type NFAs. In this work, two new A-DBD-A-type NFAs, denoted as CFB and CMB, are designed and synthesized, where electron-withdrawing fluorine atoms and electron-donating methyl groups are substituted on the benzene ring of the -BDP moiety, respectively. CFB exhibits a blue-shifted absorption spectrum, stronger intermolecular interactions, shorter π-π stacking distances, and more ordered 3D intermolecular packing in the neat and blend films, enabling it to effectively suppress charge recombination in the PM6:CFB device showing a higher PCE of 16.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!