Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Pourayoubi M

PROVIDER: S-EPMC3052045 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Pourayoubi Mehrdad M Saneei Anahid A

Acta crystallographica. Section E, Structure reports online 20110219 Pt 3

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]. ...[more]

PMID: 21522415

Similar Datasets

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

Project description: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.

| S-EPMC3200640 | 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'-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-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'-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

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