N-Benzoyl-N′,N′′-dicyclohexylphosphoric triamide
نویسندگان
چکیده
In the title compound, C(19)H(30)N(3)O(2)P, the central P atom has a distorted tetra-hedral configuration. The N atoms in both cyclo-hexyl-amide moieties exhibit a slight deviation [0.32 (7) and 0.44 (6) Å] from planarity, while the benzoyl-amide N atom is planar [0.11 (3) Å]. In the crystal, mol-ecules are linked via N-H⋯O(P) and N-H⋯O(C) hydrogen bonds, forming R(2) (2)(10) rings within linear arrangements parallel to the b axis.
منابع مشابه
ONE STEP SYNTHESIS OF ANILINO ALKYL-NSUBSTITUTED PHTHALIMIDES RELATED TO BENZOISOQUINOLINE-1,3-DIONES (1)
A facile one step synthesis of anilino alky1-N-substituted phthalimide I is reported. The following compounds belonging to this series were made: 1. (anilino-N-ethyl) phthalimide 8 2. (3,4, 5-trimethoxy anilino-N-ethyl) phthalimide 6 3. (3,4, 5-trimethoxy anilino-N-propyl) phthalimide 7 4. N-(ethyl phthalirnido-p-amino benzoyl) glutamic acid diethyl ester 10 5. N-(propyl phthalimido-p-ami...
متن کاملTheoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study
The N-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. The quantum theoretical calculations for two crystal structures of N-(2-benzoyl-phenyl) oxalyl (compounds I and II) were performed by Density Functional Theory (B3LYP method and 6-311+G* basis set). From the optimized structures, geometric paramet...
متن کاملTheoretical studies on corrosion inhibition of N-aroyl-N’-aryl thiourea derivatives using conceptual DFT approach
In this paper, quantum chemical parameters at density functional theory (DFT) B3LYP/6-31G** (d,p) level of theory were calculated for three organic corrosion inhibitors [N-benzoyl-N-(p-aminophenyl) thiourea, N-benzoyl-N-(thiazole) thiourea and N-acetyl-N-(dibenzyl) thiourea. The calculated molecular descriptors such as the HOMO, LUMO, dipole moment, chemical potential (μ), chemical hardness (ղ)...
متن کامل[Discovery of cis-preference of aromatic N-methylamides and its application to molecular constructions].
Aromatic secondary amides such as benzanilide (1) exist in a trans-amide form both in the crystal and in the solution, whereas N-methylbenzanilide (2) exists in cis form in the crystal, and predominantly in a cis form in the solution. Similar cis conformational preferences were observed in aromatic N,N'-dimethylated ureas and guanidines, in which two aromatic rings are located face to face. The...
متن کاملCyclohexylmethylammonium N,N′-dicyclohexyl-N,N′-dimethyl-N′′-(2,2,2-trifluoroacetyl)phosphonic triamide)
In the salt, C(7)H(16)N(+)·C(16)H(28)F(3)N(3)O(2)P(-), the P atom shows tetra-hedral coordination. Two ion pairs are linked by N-H⋯O hydrogen bonds across a center of inversion. The phosphoryl and carbonyl groups are staggered [O-P-N-C = 64.8 (3)°].
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 67 شماره
صفحات -
تاریخ انتشار 2011