Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: The P atom in the title compound, C(21)H(33)N(4)O(4)P, is in a slightly distorted tetra-hedral coordination environment and the phosphoryl and carbonyl groups are anti to each other. The environment of each N atom is essentially planar (average angles of 119.9 and 118.4°). In the crystal structure, 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.

SUBMITTER: Sabbaghi F

PROVIDER: S-EPMC3006933 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Sabbaghi Fahimeh F Rostami Chaijan Mahnaz M Pourayoubi Mehrdad M

Acta crystallographica. Section E, Structure reports online 20100623 Pt 7

The P atom in the title compound, C(21)H(33)N(4)O(4)P, is in a slightly distorted tetra-hedral coordination environment and the phosphoryl and carbonyl groups are anti to each other. The environment of each N atom is essentially planar (average angles of 119.9 and 118.4°). In the crystal structure, 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. ...[more]

PMID: 21587970

Similar Datasets

N,N'-Dicyclo-hexyl-N''-(4-nitro-benzo-yl)phospho-ric triamide.

Project description:The P atom in the title compound, C(19)H(29)N(4)O(4)P, exhibits a tetra-hedral coordination and the phosphoryl and carbonyl groups are anti to each other. Adjacent mol-ecules are linked by N-H⋯O hydrogen bonds to form a layer motif.

| S-EPMC2979854 | 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'-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-literature

N,N'-Dicyclo-hexyl-N'',N''-dimethyl-phospho-ric triamide.

Project description:In the title compound, C(14)H(30)N(3)OP, both cyclo-hexyl groups adopt chair conformations with the NH unit in an equatorial position. The P atom adopts a slightly distorted tetra-hedral environment. In the (CH(3))(2)NP(O) unit, the O-P-N-C torsion angles, showing the orientations of the methyl groups with respect to the phosphoryl group, are -166.6 (3) and 34.6 (4)°. The O atom of the P=O group acts as a double hydrogen-bond acceptor and is involved in two different inter-molecular N-H⋯OP hydrogen bonds, building R(2) (2)(8) rings that are further linked into chains running parallel to the b axis.

| S-EPMC3051506 | biostudies-literature

N-Benzoyl-N',N''-dicyclo-hexyl-phospho-ric triamide.

Project description:In the title compound, C(19)H(30)N(3)O(2)P, the central P atom has a distorted tetra-hedral configuration. The N atoms in both cyclo-hexyl-amide moieties exhibit a slight deviation [0.32 (7) and 0.44 (6) Å] from planarity, while the benzoyl-amide N atom is planar [0.11 (3) Å]. In the crystal, mol-ecules are linked via N-H⋯O(P) and N-H⋯O(C) hydrogen bonds, forming R(2) (2)(10) rings within linear arrangements parallel to the b axis.

| S-EPMC3120389 | 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

N,N'-Dicyclo-pentyl-N'',N''-dimethyl-phospho-ric triamide.

Project description:The P atom in the title mol-ecule, C(12)H(26)N(3)OP, has a distorted tetra-hedral configuration: its bond angles lie in the range 101.1 (2)-119.1 (2)°. The P-N bonds to the two cyclo-pentyl-amido moieties are significantly different [1.619 (4) and 1.643 (4) Å], with the shorter bond related to an anti orientation of the lone electron pair of the corresponding N atom relative to the P=O bond. The O atom of the P=O group acts as a double hydrogen-bond acceptor and is involved in two different inter-molecular N-H⋯O(P) hydrogen bonds, building R(2) (2)(8) rings that are further linked into chains along [001].

| S-EPMC3239040 | 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'-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'-Dibenzyl-N''-(4-bromo-benzo-yl)-N,N'-dimethyl-phospho-ric triamide.

Project description:In the title compound, C(23)H(25)BrN(3)O(2)P, the P atom has a distorted tetra-hedral coordination. In the crystal structure, the mol-ecules form centrosymmetric dimers via pairs of essentially linear N-H?O hydrogen bonds.

| S-EPMC2960869 | biostudies-other

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