Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

P,P-Bis[4-(dimethyl-amino)-phen-yl]-N,N-bis-(propan-2-yl)phosphinic amide.

ABSTRACT: The mol-ecular structure of the title compound, C(22)H(34)N(3)OP, adopts a distorted tetra-hedral geometry at the P atom, with the most noticeable distortion being for the O-P-N angle [117.53?(10)°]. An effective cone angle of 187° was calculated for the compound. In the crystal, weak C-H?O inter-actions create infinite chains along [100], whereas C-H?? inter-actions propagating in [001] generate a herringbone motif.

SUBMITTER: Evans SJ

PROVIDER: S-EPMC3569256 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

P,P-Bis[4-(dimethyl-amino)-phen-yl]-N,N-bis-(propan-2-yl)phosphinic amide.

Evans Stephen J SJ Renison C Alicia CA Williams D Bradley G DB Muller Alfred A

Acta crystallographica. Section E, Structure reports online 20130109 Pt 2

The mol-ecular structure of the title compound, C(22)H(34)N(3)OP, adopts a distorted tetra-hedral geometry at the P atom, with the most noticeable distortion being for the O-P-N angle [117.53 (10)°]. An effective cone angle of 187° was calculated for the compound. In the crystal, weak C-H⋯O inter-actions create infinite chains along [100], whereas C-H⋯π inter-actions propagating in [001] generate a herringbone motif. ...[more]

PMID: 23424479

Similar Datasets

N-(4-Fluoro-phen-yl)-2,2-dimethyl-propan-amide.

Project description:The crystal packing in the title compound, C(11)H(14)FNO, features N-H?O hydrogen bonds, resulting in chains of mol-ecules running parallel to the c axis. The dihedral angle between the ring and the amide group is 39.1?(3)°.

| S-EPMC3379342 | biostudies-literature

{2-[(Dimethyl-amino)-meth-yl]phen-yl}bis-(4-methyl-phen-yl)bis-muthane.

Project description:The title compound, [Bi(C(7)H(7))(2)(C(9)H(12)N)], was obtained by treating chlorodi(p-tol-yl)bis-muthane with o-lithio-N,N-dimethyl-benzyl-amine. An intra-molecular Bi?N nonbonding inter-action is observed in the distorted trigonal triaryl-bis-muth coordination of the title compound.

| S-EPMC3050329 | biostudies-literature

Dichloro-phosphinic bis-(2-chloro-eth-yl)amide.

Project description:In the title compound, C4H8Cl4NOP, the two chloro-ethyl groups are not related by crystallographic symmetry. The difference in the conformation of the two groups is shown by their N-C-C-Cl torsion angles of 64.57?(15) and 175.62?(10)°.

| S-EPMC3588365 | biostudies-literature

Bis[4-(dimethyl-amino)phen-yl]diazene oxide.

Project description:The asymmetric unit of the title compound, C(16)H(20)N(4)O, contains six independent approximately planar mol-ecules and is best described as a commensurate modulation of a P2(1)/c parent. Two sets of disordered mol-ecules share almost the same locations (related by an in-plane translation), ensuring that the c-glide plane condition is not attained. C-H?O inter-actions provide structural cohesion. The site occupancy factors of the disordered molecules are ca 0.72/0.28 and 0.67/0.33.

| S-EPMC2961315 | biostudies-literature

Bis(pyrrolidin-1-yl)phosphinic (2,4-di-fluoro-benzo-yl)amide.

Project description:The P atom in the title mol-ecule, C(15)H(20)F(2)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. An F atom at position 2 and an H atom at position 6 are found to occupy similar sites in a 0.70:0.30 ratio and were refined with fixed occupancies. The pyrrolidin-1-yl rings are disordered over two sets of sites, with site occupancies of 0.566?(6) and 0.434?(6), and were refined using a two-part model. In the crystal, hydrogen-bonded dimers linked by pairs of N-H?O(P) hydrogen bonds generate an R(2) (2)(8) ring motif.

| S-EPMC3435709 | biostudies-literature

[2,6-Bis(dimethyl-amino-meth-yl)phen-yl]selenium bromide monohydrate.

Project description:In the title hydrated molecular salt, C(12)H(19)N(2)Se(+)·Br(-)·H(2)O, the two independent bromide anions lie on a twofold rotation axis. Strong intra-molecular N→Se inter-actions [2.185 (3) and 2.181 (3) Å] are established by both N atoms of the organic group in the cation, in trans positions to each other, with an N-Se-N angle of 161.6 (1)°, resulting in a T-shaped (C,N,N')Se core. In the crystal, dimeric associations are formed by Br⋯Se [3.662 (2) Å] and Br⋯H inter-actions [2.56 (6) and 2.63 (7) Å] involving two bromide anions, two cations and two water mol-ecules.

| S-EPMC2983970 | biostudies-literature

1,5-Bis(4-chloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]pentane-1,5-dione.

Project description:In the title mol-ecule, C(25)H(23)Cl(2)NO(2), the central benzene ring forms dihedral angles of 81.88?(7) and 89.22?(7)° with the two 4-chloro-phenyl fragments. The crystal packing exhibits weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distance 3.724?(3)?Å].

| S-EPMC2968596 | biostudies-literature

N-Benzyl-P-(2-ethyl-phen-yl)-P-phenyl-phosphinic amide.

Project description:In the crystal structure of the title compound, C(21)H(22)NOP, the amine H atom is involved in N-H?O hydrogen-bonding inter-actions, resulting in chains along the c axis. The crystal lattice is consolidated by weak inter-molecular C-H?? inter-actions.

| S-EPMC3239033 | biostudies-literature

N-(2,6-Difluoro-benzo-yl)-P,P-bis-(pyrrolidin-1-yl)phosphinic amide.

Project description:The phosphoryl and carbonyl groups in the title compound, C(15)H(20)F(2)N(3)O(2)P, are anti with respect to each other (but the P- and C-groups are separated by another atom) and the P atom is in a tetra-hedral coordination environment. Two C atoms in one of the pyrrolidinyl fragments are disordered over two sets of sites with occupancies of 0.746?(8) and 0.254?(8). The environments of the pyrrolidinyl N atoms show a slight deviation from planarity and none of the three N atoms is involved in any hydrogen bond as an acceptor. In the crystal, pairs of inter-molecular N-H?O hydrogen bonds form inversion dimers.

| S-EPMC3200646 | biostudies-literature

2-[Bis(3,5-dimethyl-phen-yl)-phosphor-yl]-propan-2-ol hemihydrate.

Project description:In the organic mol-ecule of the title compound, C(19)H(25)O(2)P·0.5H(2)O, the benzene rings are oriented at a dihedral angle of 54.04?(3)°. Intra-molecular C-H?O hydrogen bonds result in the formation of two five-membered planar rings, which are oriented with respect to the adjacent benzene rings at dihedral angles of 2.66?(3) and 2.79?(3)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules. The water oxygen atom lies on a twofold rotation axis.

| S-EPMC2961830 | biostudies-other

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