Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Raissi Shabari A

PROVIDER: S-EPMC3515277 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Raissi Shabari Akbar A Pourayoubi Mehrdad M Tarahhomi Atekeh A Rheingold Arnold L AL Golen James A JA

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

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 di ...[more]

PMID: 23284497

Similar Datasets

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'-Dibenzyl-N''-(2,6-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:The phosphoryl and carbonyl groups in the title compound, C(23)H(24)F(2)N(3)O(2)P, are anti to each other. The P atom is in a tetra-hedral coordination environment and the environment of each N atom is essentially planar, the average bond angles at the two N atoms being 119.9 and 119.1°. The H atom of the C(=O)NHP(=O) group is involved in an inter-molecular -P=O?H-N- hydrogen bond, forming centrosymmetric dimers.

| S-EPMC2983404 | biostudies-literature

N,N'-Dicyclo-hexyl-N''-(2,6-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title mol-ecule, C(21)H(32)F(2)N(3)O(2)P, the P=O and N-H groups are syn with respect to each other, and the P atom is bonded in a distorted tetra-hedral environment. The phosphoryl group adopts an anti orientation with respect to the carbonyl group. The angles at the tertiary N atoms (with bond-angle sums of 358.4 and 357.0°) confirm their sp(2) character. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3247423 | biostudies-literature

N,N'-Dibenzyl-N''-(2,4-difluoro-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title mol-ecule, C(23)H(24)F(2)N(3)O(2)P, the P atom is in a distorted tetra-hedral P(=O)(N)(N)(2) environment, with the bond angles around the P atom in the range 106.78 (11)-114.10 (13)°. The phosphoryl and carbonyl groups, which are separated by an N atom, adopt an anti orientation relative to each other. In the C(=O)NHP(=O) fragment, the P-N bond is longer [1.683 (2) Å] and the O-P-N angle is smaller [106.78 (11)°] than the other P-N bonds [1.613 (2) and 1.632 (2) Å] and O-P-N bond angles [114.10 (13) and 110.83 (12)°], respectively. The N atoms have sp(2) character. In the crystal, pairs of P=O⋯H-N hydrogen bonds form inversion dimers with R(2) (2)(8) ring motifs.

| S-EPMC3274968 | 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-(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'-Dibenzyl-N''-(2-chloro-2,2-difluoro-acet-yl)phospho-ric triamide.

Project description:In the title mol-ecule, C(16)H(17)ClF(2)N(3)O(2)P, the N-H unit of the C(=O)NHP(=O) fragment adopts a syn orientation with respect to the P=O group. The two F atoms and the Cl atom of the ClF(2)C group are disordered over two sets of sites with refined occupancies of 0.605?(6) and 0.395?(6). In the crystal, mol-ecules are linked via N-H?O=C hydrogen bonds the and the (N-H?)(N-H?)O=P group into chains along [010].

| S-EPMC3470367 | biostudies-literature

N-(2-Chloro-2,2-difluoro-acet-yl)-N',N''-diisopropyl-phospho-ric triamide.

Project description:In the title compound, C(8)H(17)ClF(2)N(3)O(2)P, the phosphoryl group and the NH unit of the C(O)NHP(O) moiety adopt a syn conformation with respect to each other. The P atom is in a tetra-hedral coordination environment and the environment of the N atom of the C(O)NHP(O) moiety is essentially planar. In the crystal, adjacent mol-ecules are linked via N-H⋯O =P and N-H⋯O =C hydrogen bonds, building R(2) (2)(8) and R(2) (2)(12) rings in a linear arrangement parallel to [110].

| S-EPMC3052045 | 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

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