Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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)°.

SUBMITTER: Song E

PROVIDER: S-EPMC3588365 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

(E)-2,4-Dichloro-6-{1-[(2-chloro-eth-yl)imino]-eth-yl}phenol.

Project description:The title Schiff base compound, C(10)H(10)Cl(3)NO, was prepared by the condensation of 1-(3,5-dichloro-2-hy-droxy-phen-yl)ethanone with chloro-ethyl-amine. The imine adopts an E configuration with respect to the C=N bond. The H atom of the phenolic OH group is disordered over two positions with site occupation factors of 0.52?(7) and 0.48?(7), respectively, and the major occupancy component is involved in an intramolecular N-H?O hydrogen bond. The compound therefore exists in an iminium-phenolate as well as in the imino-phenol form. In the crystal, mol-ecules are connected by C-H?O and C-H?Cl hydrogen bonds and Cl?Cl inter-actions [3.7864?(9)?Å] into a three-dimensional network. In addition, inter-molecular ?-? stacking inter-actions [centroid-centroid distance = 4.4312?(9)?Å] are observed.

| S-EPMC3011393 | 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

N-(2-Chloro-eth-yl)morpholine-4-carbox-amide.

Project description:The title compound, C7H13ClN2O2, synthesized by the reaction of 2-chloro-ethyl iso-cyanate and morpholine, crystallizes with four molecules in the asymmetric unit, which have similar conformations and comprise two pairs each related by approximate non-crystallographic inversion centres. Two of them have a modest orientational disorder of the 2-chloro-ethyl fragments [occupancy ratio of 0.778 (4):0.222 (4)]. In the crystal, mol-ecules are linked by N-H⋯O=C hydrogen bonds, forming three crystallographically different kinds of infinite hydrogen-bonded chains extending along [001].

| S-EPMC3998621 | biostudies-literature

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

Project description: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.

| S-EPMC3569256 | biostudies-literature

rac-Eth-yl(phen-yl)phosphinic acid.

Project description:The crystal structure of the title compound, C8H11O2P, features O-H⋯O hydrogen bonds, which link mol-ecules related by the b-glide plane into chains along [010].

| S-EPMC3589060 | biostudies-literature

1,4-Dichloro-2,3-bis-(chloro-meth-yl)butane.

Project description:The title compound, C6H10Cl4, adopts a geometric arrangement with two C-Cl bonds anti-periplanar to C-H bonds and the other two anti-periplanar to C-C bonds. While minimising steric replusion, this arrangement still gives rise to some intramolecular C-H⋯Cl contacts. In the crystal, mol-ecules are connected into a three-dimensional architecture via further C-H⋯Cl contacts.

| S-EPMC3589066 | biostudies-literature

1,3-Bis{(+)-(S)-[1-(1-naphth-yl)eth-yl]imino-meth-yl}benzene dichloro-methane solvate.

Project description:In the title compound, C(32)H(28)N(2)·CH(2)Cl(2), the complete Schiff base and solvent molecules are both generated by crystallographic twofold axes, with the two C atoms of the former and the C atom of the latter lying on the rotation axis. The central benzene ring is substituted with two chiral groups including imine functionalities, with the common E configuration. The dihedral angle between the central benzene ring and the terminal naphthalene ring is 45.42 (9)° and that between the two naphthalene rings is 89.16 (8)°. The conformation of the Schiff base allows solvent mol-ecules to fill the voids in the crystal, affording a stable 1:1 solvate, but the solvent inter-acts poorly with the Schiff base, as reflected by its rather high displacement parameters.

| S-EPMC2969804 | biostudies-literature

(Z)-1,2-Dichloro-1,2-bis-(3-chloro-quinoxalin-2-yl)ethene.

Project description:The title compound, C(18)H(8)Cl(4)N(4), exists in a cis configuration with respect to the bridging C=C bond. The two essentially planar quinoxaline ring systems [maximum deviations = 0.012 (1) and 0.022 (1) Å] are inclined at an angle of 59.84 (3). In the crystal, adjacent mol-ecules are linked into chains propagating along [001] via inter-molecular C-H⋯N hydrogen bonds. Weak inter-molecular π-π [centroid-centroid distance = 3.6029 (7)°] and C-H⋯π inter-actions are also observed.

| S-EPMC3051480 | biostudies-literature

9,9-Bis[4-(2-chloro-eth-oxy)phen-yl]-9H-fluorene.

Project description:The title compound, C(29)H(24)Cl(2)O(2), a fluorene derivative, features a C atom that is connected to four phenyl-ene rings, two of which are almost coplanar (r.m.s. deviation = 0.035 Å) as they belong to the fluorene system. The other two rings are aligned at angles of 67.5 (5) and 85.5 (5)° with respect to the pair. The O and Cl atoms of the -OCH(2)CH(2)Cl- units adopt a gauche conformation [torsion angles = 61.6 (6) and 66.6 (5)°].

| S-EPMC3007866 | 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