Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Bis(4-methyl-phen-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide.

ABSTRACT: The P atom in the title compound, C(16)H(17)Cl(3)N(3)O(2)P, is bonded in a distorted tetra-hedral geometry with the phosphoryl and carbonyl groups anti with respect to one another. In the crystal, mol-ecules are linked through (N-H)(2)?O(=P) and N-H?O(=C) hydrogen bonds into chains along [001]. The phosphoryl O atom acts as a double hydrogen-bond acceptor.

SUBMITTER: Raissi Shabari A

PROVIDER: S-EPMC3379387 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N,N'-Bis(4-methyl-phen-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide.

Raissi Shabari Akbar A Pourayoubi Mehrdad M Fadaei Hassan H Nečas Marek M Babiak Michal M

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

The P atom in the title compound, C(16)H(17)Cl(3)N(3)O(2)P, is bonded in a distorted tetra-hedral geometry with the phosphoryl and carbonyl groups anti with respect to one another. In the crystal, mol-ecules are linked through (N-H)(2)⋯O(=P) and N-H⋯O(=C) hydrogen bonds into chains along [001]. The phosphoryl O atom acts as a double hydrogen-bond acceptor. ...[more]

PMID: 22719585

Similar Datasets

N,N'-Bis(2-methyl-phen-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide.

Project description:In the title compound, C(16)H(17)Cl(3)N(3)O(2)P, the P-N bonds in the P(O)[NH(2-CH(3))C(6)H(4)](2) unit [1.623?(4) and 1.637?(3)?Å] are shorter than the P-N bond in the C(O)NHP(O) fragment [1.704?(3)?Å]. The phosphoryl and carbonyl groups are anti with respect to each other and the P atom has a distorted tetra-hedral configuration. In the crystal, adjacent mol-ecules are linked via N-H?O(P) and N-H?O(C) hydrogen bonds into an extended chain parallel to [101].

| S-EPMC3201409 | biostudies-literature

N,N'-Bis(2-chloro-benz-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(16)H(15)Cl(5)N(3)O(2)P, exhibits a tetra-hedral coordination geometry and the phosphoryl and carbonyl groups are anti with respect to one another. The dihedral angle between the benzene rings is 44.90?(15)°. One of the 2-chloro-benzyl-amido fragments is disordered over two sets of sites with occupancies of 0.8823?(17) and 0.1177?(17). In the crystal, adjacent mol-ecules are linked via N-H?O(P) and N-H?O(C) hydrogen bonds into an extended chain running parallel to the a axis.

| S-EPMC3213494 | biostudies-literature

N-{Bis[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide.

Project description:In the asymmetric unit of the crystal structure of the title compound, C(16)H(17)Cl(3)N(3)O(2)P, there are two crystallograph-ically independent mol-ecules, which form dimers via N-H?O hydrogen bonding between the N-H group and the P=O group. In the mol-ecular structure, the phosphoryl group is anti to the carbonyl group. The two benzene rings are oriented at dihedral angles of 54.3?(2) and 49.7?(2)° in the two independent mol-ecules.

| S-EPMC2971180 | biostudies-literature

N-(2-Fluoro-benzo-yl)-N',N''-bis-(4-methyl-phen-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(21)H(21)FN(3)O(2)P, is in a tetra-hedral coordination environment and the environment of each N atom is essentially planar (sums of angles = 359.7, 359.9 and 358.4°). The phosphoryl and carbonyl groups adopt anti orientations with respect to each other. In the crystal, adjacent mol-ecules are linked via N-H?O=P and two N-H?O=C hydrogen bonds into an extended chain parallel to the a axis.

| S-EPMC3100001 | biostudies-literature

N-(3-Fluoro-benzo-yl)-N',N''-bis-(4-methyl-phen-yl)phospho-ric triamide.

Project description:In the title compound, C(21)H(21)FN(3)O(2)P, the NH and P(=O) groups of the C(=O)NHP(=O) fragment are in a syn arrangement with respect to each other, as are the two amide H atoms of the two CH(3)-4-C(6)H(4)-NH moieties. In the crystal, mol-ecules are linked through N-H⋯O(=P) and N-H⋯O(=C) hydrogen bonds, forming R(2) (2)(8) and R(2) (2)(12) rings, which are arranged in chains parallel to [010].

| S-EPMC3247428 | biostudies-literature

N,N'-Bis(2-chloro-benz-yl)-N''-(dichloro-acet-yl)phospho-ric triamide.

Project description:In the title compound, C(16)H(16)Cl(4)N(3)O(2)P, the phosphoryl and carbonyl groups are anti to each other. The dihedral angle between the benzene rings is 33.59 (16)°. In the crystal, adjacent mol-ecules are linked via N-H⋯O=P and N-H⋯O=C hydrogen bonds, into an extended chain running parallel to the a axis.

| S-EPMC3051657 | biostudies-literature

Bis(N-{bis-[meth-yl(phen-yl)amino]phos-phor-yl}-2,2,2-trichloro-acetamide)di-nitrato-dioxidouranium(VI).

Project description:In the title compound, [UO(2)L(2)(NO(3))(2)] {L = N-{bis-[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide, C(16)H(17)Cl(3)N(3)O(2)P}, the U(VI) ions are eight-coordinated by axial oxido ligands and six equatorial O atoms from the phosphoryl and nitrate groups in a distorted hexa-gonal-bipyramidal geometry. There are disordered fragments in the two coordinating L ligands: the trichloro-methyl group is rotationally disordered between two orientations [occupancy ratio 0.567?(15):0.433?(15)] in one ligand, and a meth-yl(phen-yl)amine fragment is disordered over two conformations [occupancy ratio 0.60?(4):0.40?(4)] in the other ligand. In the crystal structure, intra-molecular N-H?O hydrogen bonds between the amine and nitrate groups are observed.

| S-EPMC2983606 | biostudies-literature

2,2,2-Trichloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound, C(10)H(10)Cl(3)NO, is anti to the C=O bond. The amide H atom exhibits both intra-molecular N-H⋯Cl and inter-molecular N-H⋯O hydrogen bonding. The latter inter-actions link the mol-ecules into infinite chains.

| S-EPMC2977724 | biostudies-literature

2,2,2-Trichloro-N-(2,5-dimethyl-phen-yl)acetamide.

Project description:The N-H bond in the title compound, C(10)H(10)Cl(3)NO, is syn to the 2-methyl and anti to the 5-methyl substituent of the aromatic ring. Adjacent mol-ecules are linked into chains through N-H⋯O hydrogen bonding. Two Cl atoms are each disordered equally over two sites.

| S-EPMC2961108 | biostudies-literature

4-Methyl-N'-(2,2,2-trichloro-ethanimido-yl)benzene-1-carboximidamide.

Project description:The title compound, C(10)H(10)Cl(3)N(3), features a delocalized unsaturated N C N C N chain and strong intra-molecular N-H⋯N hydrogen bonding across the chelate ring and also intra-molecular N-H⋯Cl contacts to a CCl(3)-group Cl atom. The only inter-molecular contacts in the lattice are non-classical hydrogen bonds between methyl and CCl(3) groups. The pseudo-six-membered ring is distinctly non-planar by virtue of rotation about the N-C bond between the carboximidamide and imine components [C-N-C-N torsion angle = -23.6 (2) °].

| S-EPMC3238812 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data