Browse
Submit Data
Databases
API
Help

Dataset Information

13 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Sabbaghi F

PROVIDER: S-EPMC2979854 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Sabbaghi Fahimeh F Pourayoubi Mehrdad M Toghraee Maryam M Divjakovic Vladimir V

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

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. ...[more]

PMID: 21579772

Similar Datasets

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

Project description: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.

| S-EPMC3006933 | 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-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'-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,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'-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-(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

1,3-Dicyclo-hexyl-1-(4-nitro-benzo-yl)urea.

Project description:In the title compound, C(20)H(27)N(3)O(4), both cyclo-hexane rings adopt chair conformations. The benzene ring and the amide group are oriented at a dihedral angle of 62.1?(2)°. In the crystal structure, inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into chains propagating in [010], which contain R(2) (2)(12) ring motifs.

| S-EPMC2979486 | 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'-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

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