Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-Dibenzyl-N''-(2-chloro-acet-yl)-N,N'-dimethyl-phospho-ric triamide.

ABSTRACT: In the title mol-ecule, C(18)H(23)ClN(3)O(2)P, the P atom is bonded in a distorted tetra-hedral environment. The P=O and N-H groups are syn with respect to each other. The angles at the tertiary N atoms confirm their sp(2) character. In the crystal, pairs of inter-molecular P=O?H-N hydrogen bonds form centrosymmetric dimers.

SUBMITTER: Pourayoubi M

PROVIDER: S-EPMC3200640 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-Dibenzyl-N''-(2-chloro-acet-yl)-N,N'-dimethyl-phospho-ric triamide.

Pourayoubi Mehrdad M Keikha Mojtaba M Nečas Marek M

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title mol-ecule, C(18)H(23)ClN(3)O(2)P, the P atom is bonded in a distorted tetra-hedral environment. The P=O and N-H groups are syn with respect to each other. The angles at the tertiary N atoms confirm their sp(2) character. In the crystal, pairs of inter-molecular P=O⋯H-N hydrogen bonds form centrosymmetric dimers. ...[more]

PMID: 22059012

Similar Datasets

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

Project description:In the title mol-ecule, C(18)H(21)ClF(2)N(3)O(2)P, the P=O and N-H groups are syn to each other. The P atom adopts a slightly distorted tetra-hedral environment and the N atoms of the tertiary amine groups are bonded in an essentially planar geometry. In the crystal, pairs of inter-molecular N-H⋯O(P) hydrogen bonds form centrosymmetric dimers.

| S-EPMC3052170 | 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,N'-Dibenzyl-N,N'-dimethyl-N''-(2-phenyl-acet-yl)phospho-ric triamide.

Project description:The P atom in the title mol-ecule, C(24)H(28)N(3)O(2)P, is in a distorted tetra-hedral P(=O)(N)(N)(2) environment. The phosphoryl group and the NH unit adopt a syn orientation with respect to each other and the N atoms have sp(2) character. The P-N bonds in the P(O)[N(CH(3))(CH(2)C(6)H(5))](2) unit are shorter than the P-N bond in the C(=O)NHP(=O) fragment. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, pairs of P=O⋯H-N hydrogen bonds form centrosymmetric dimers. C-H⋯O contacts are also observed. Four C atoms of two benzene rings are disordered over two alternative sites with an occupancy ratio of 0.523 (12):0.427 (12).

| S-EPMC3239060 | 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'-Dibenzyl-N,N'-dimethyl-N''-(methyl-sulfon-yl)phospho-ric triamide.

Project description:In the title compound, C(17)H(24)N(3)O(3)PS, the P and the S atoms are each in a distorted tetra-hedral environment and the N atoms display sp(2) character. The phosphoryl group and the NH unit are anti with respect to one another. The dihedral angle between the mean planes of the benzene rings is 31.08?(8)°. The crystal packing is stabilized by N-H?O hydrogen bonds, forming an extended chain parallel to the b axis.

| S-EPMC3120462 | biostudies-literature

N,N'-Dibenzyl-N,N'-dimethyl-N''-(p-tol-yl)phospho-ric triamide.

Project description:The asymmetric unit of the title compound, C(23)H(28)N(3)OP, contains two independent mol-ecules with significant conformational differences. For example, the torsion angles N-C-C-C involving the N-benzyl moieties are 57.3 (7) and 11.6 (8)° in one mol-ecule and 76.5 (7) and 97.4 (7)° in the other. In each mol-ecule, the P atom exhibits a distorted tetra-hedral conformation [the bond angles at P are in the ranges 104.7 (2)-115.2 (2) and 105.1 (2)-115.1 (2)° in the two molecules], and the phosphoryl group and the N-H group adopt an anti orientation with respect to one another. In the crystal, mol-ecules are linked via N-H⋯O(P) hydrogen bonds, forming a chain parallel to the a axis.

| S-EPMC3238883 | 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,N'-Di-tert-butyl-N''-(2-chloro-acet-yl)phospho-ric triamide.

Project description:The P atom in the title mol-ecule, C(10)H(23)ClN(3)O(2)P, has a distorted tetra-hedral coordination. In the C(O)NHP(O) unit, which has syn-oriented phosphoryl and N-H groups, the P-N bond of 1.703 (2) Å is longer and the O-P-N angle of 103.86 (7)° is contracted compared with the respective values in the two P(O)NHC(CH(3))(3) units [P-N = 1.632 (2) and 1.624 (2) Å; O-P-N = 116.80 (8) and 115.32 (8)°]. In the crystal, each mol-ecule is hydrogen bonded to two adjacent mol-ecules via N-H⋯O hydrogen bonds, forming a linear sequence of alternating R(2) (2)(8) and R(2) (2)(12)/R(2) (1)(6)-fused rings along [010]. The O atom of the carbonyl group acts as a double H-atom acceptor.

| S-EPMC3247586 | 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,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 ›

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