Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Pourayoubi M

PROVIDER: S-EPMC3247428 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Pourayoubi Mehrdad M Shoghpour Samad S Bruno Giuseppe G Amiri Rudbari Hadi H

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

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]. ...[more]

PMID: 22220046

Similar Datasets

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-(4-Fluoro-benzo-yl)-N',N''-diisopropyl-phospho-ric triamide.

Project description:The asymmetric unit of the title phospho-ric triamide, C13H21FN3O2P, consists of two independent mol-ecules. In each mol-ecule, the P=O group and the N-H unit belonging to the C(O)NHP(O) fragment are in a syn conformation with respect to each other. An intra-molecular N-H⋯O hydrogen bond occurs in each mol-ecule. The P atom adopts a distorted tetra-hedral environment. The methyl groups of an isopropyl fragment are disordered over two sets of sites with refined occupancies of 0.458 (5) and 0.542 (5). In the crystal, mol-ecules are linked through N-H⋯O(=P) and N-H⋯O(=C) hydrogen bonds into chains along [001].

| S-EPMC3588995 | biostudies-literature

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,N',N'-Tetra-ethyl-N''-(2-fluoro-benzo-yl)phospho-ric triamide.

Project description:In the title compound, C(15)H(25)FN(3)O(2)P, the phosphoryl group is in an anti and syn orientation to the C=O and N-H groups, respectively. The P atom is in a distorted tetra-hedral environment. One of the ethyl groups is disordered over two sets of sites with refined occupancies of 0.755?(6) and 0.245?(6). In addition, the F atom was refined as disordered with occupancies fixed at 0.9 and 0.1. This disorder corresponds to a rotation of approximately 180° of the fluoro-benzene ring about its connecting C-C bond. In the crystal, pairs of inter-molecular N-H?O(=P) hydrogen bonds form centrosymmetric dimers.

| S-EPMC3201378 | biostudies-literature

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

Project description: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.

| S-EPMC3379387 | biostudies-other

N,N'-Dicyclo-hexyl-N''-(3-fluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title compound, C(21)H(33)FN(3)O(2)P, the P atom has a distorted tetra-hedral environment and the N atoms display geometries consistent with a model of sp(2) hybridization (with bond-angle sums for the tertiary N atoms of 357.8 and 358.7°). The phosphoryl and carbonyl groups are anti with respect to each other. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3247424 | biostudies-other

N,N'-Di-tert-butyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.

Project description:In the title compound, C(15)H(24)F(2)N(3)O(2)P, the phosphoryl and carbonyl groups adopt anti positions relative to each other. The P atom is in a tetra-hedral coordination environment and the environment of each N atom is essentially planar. 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 the a axis. The crystal studied was a non-merohedral twin with a minor twin component of 36.4?(1)%.

| S-EPMC3011709 | 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

N,N,N',N'-Tetra-benzyl-N''-(2,6-difluoro-benzo-yl)phospho-ric triamide.

Project description:In the C(O)NHP(O) fragment of the title compound, C(35)H(32)F(2)N(3)O(2)P, the P-N bond is longer and the O-P-N angle is contracted compared with the other two P-N bonds and O-P-N angles. The P atom adopts a distorted tetra-hedral environment and the phosphoryl and carbonyl groups are anti with respect to each other. The two tertiary N atoms of the dibenzyl-amido groups show sp(2) character with a slight deviation from planarity. In the crystal, pairs of N-H?O(P) hydrogen bonds form inversion dimers.

| S-EPMC3515277 | biostudies-literature

N,N'-Dibenzyl-N,N'-dimethyl-N''-(4-nitro-benzo-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(23)H(25)N(4)O(4)P, is in a slightly distorted tetra-hedral coordination environment and the N atoms show sp(2) character. The phosphoryl group and the NH unit are syn with respect to each other. In the crystal, pairs of inter-molecular N-H?O(P) hydrogen bonds form centrosymmetric dimers.

| S-EPMC3089276 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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