N-Ethyl-6-ethylamino-4-oxo-1,3,5-triazin-2-aminium chloride (Oxysimazine·HCl)
نویسندگان
چکیده
In the title molecular salt, C(7)H(14)N(5)O(+)·Cl(-) (the HCl salt of the oxo derivative of the triazine herbicide simazine), the cation and anion are linked by N-H⋯Cl hydrogen bonds. The chloride ion is also involved in a close electrostatic inter-action with an inversion-related triazine ring [Cl⋯centroid distance = 3.201 (1) Å]. A π-π inter-action having a centroid⋯centroid distance of 3.456 (2) Å exists between pairs of rings via another inversion relation. The triazine ring and adjacent non-H atoms are essentially planar (r.m.s. deviation = 0.042 Å), while both methyl groups are approximately perpendicular and on the same side of the plane [torsion angles = 79.3 (3) and -84.6 (3)°]. Upon exposure to X-rays for about two days, the color of the title compound changed from colorless to a pale yellow-orange with no apparent affect on the structure as evidenced by no significant change in the intensities of the standard reflections.
منابع مشابه
2,4-Diamino-6-methyl-1,3,5-triazin-1-ium chloride
In the title compound, C(4)H(8)N(5) (+)·Cl(-), a two-dimensional layer packing network is observed in which every chloride anion links three adjacent 2,4-diamino-6-methyl-1,3,5-triazin-1-ium cations by N-H⋯Cl hydrogen-bonding inter-actions, forming 12-membered and eight-membered hydrogen-bonded rings with graph-set motifs R(4) (4)(12) and R(3) (3)(8), respectively. In addition, N-H⋯N hydrogen b...
متن کاملSynthesis of s-triazine-based thiazolidinones as antimicrobial agents.
A novel series of thiazolidinone derivatives, namely 4-{4-dimethylamino-6-[4-oxo-2-phenyl-5-(4-pyridin-2-yl-piperazin-1-ylmethyl)-thiazolidin-3-yl]-[1,3,5]-triazin-2-yloxy}-1-methyl-1H-quinolin-2-ones, have been synthesized from the key intermediate 4-(4-amino-6-dimethylamino-[1,3,5]-triazin-2-yloxy)-1-methyl-1H-quinolin-2-one (5). Compound 5 was condensed with various aldehydes to give Schiff ...
متن کاملA racemization test in peptide synthesis using 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride (DMT-MM).
Racemization of the C-terminal amino acid (Ala) has been studied in various solvents during coupling between 4-methoxybenzyloxycarbonyl (Z(OMe))-Gly-L-Ala-OH and phenylalanine benzyl ester (H-Phe-OBzl) with 4-(4,6-dimethoxy-1,3,5-thiazin-2-yl)-4-methylmorpholinium chloride (DMT-MM). The reaction occurred without substantial racemization in AcOEt, tetrahydrofuran (THF), N,N-dimethylformamide (DM...
متن کاملDeet hylsimazine: Bacterial Dechlorination, Deamination, and Complete Degradation
Enrichment cultures utilizing deethylsimazine (6-chloro-N-ethyl-l,3,5-triazine-2,4-diamine) as a sole nitrogen source were obtained from so5 that had had long exposure to s-triazine herbicides. A bacterium was isolated that utilized deethylsimazine quantitatively as a nitrogen source for growth, but only 1 mol of nitrogen was obtained/mol of deethylsimazine, whereas all six atoms in melamine we...
متن کاملMethyl 2-(4,6-dichloro-1,3,5-triazin-2-ylamino)acetate
The title compound, C(6)H(6)Cl(2)N(4)O(2), was prepared by the nucleophilic substitution of 2,4,6-trichloro-1,3,5-triazine by glycine methyl ester hydro-chloride, and was isolated from the reaction by using flash chromatography. The crystal structure at 150 K reveals the presence two crystallographically independent mol-ecules in the asymmetric unit which differ in the orientation of the pendan...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 66 شماره
صفحات -
تاریخ انتشار 2010