Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,6-Bis(2-chloro-ethyl)-8b,8c-diphenyl-perhydro-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-4,8-dithione.

ABSTRACT: In the title mol-ecule, C(24)H(26)Cl(2)N(6)S(2), the two phenyl rings form a dihedral angle of 51.95?(7)° and the distance between their centroids is 4.156?(8)?Å. The crystal packing exhibits weak inter-molecular C-H?S and C-H?N hydrogen bonds.

SUBMITTER: Wu Y

PROVIDER: S-EPMC2969207 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

2,6-Bis(2-chloro-ethyl)-8b,8c-diphenyl-perhydro-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-4,8-dithione.

Wu Yandong Y Sun Yichong Y

Acta crystallographica. Section E, Structure reports online 20090627 Pt 7

In the title mol-ecule, C(24)H(26)Cl(2)N(6)S(2), the two phenyl rings form a dihedral angle of 51.95 (7)° and the distance between their centroids is 4.156 (8) Å. The crystal packing exhibits weak inter-molecular C-H⋯S and C-H⋯N hydrogen bonds. ...[more]

PMID: 21582966

Similar Datasets

2,6-Bis(2-hydroxy-ethyl)-8b,8c-diphenyl-perhydro-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-4,8-dithione.

Project description:In the title mol-ecule, C(24)H(28)N(6)O(2)S(2), the dihedral angle between the aromatic ring planes is 42.2?(1)°. In the crystal structure, the hydr-oxy groups are involved in O-H?S hydrogen bonding, which links the mol-ecules into corrugated layers propagating parallel to the bc plane.

| S-EPMC2969711 | biostudies-literature

8b,8c-Diphenyl-2,6-bis(4-pyridyl-meth-yl)-perhydro-2,3a,4a,6,7a,8a-hexa-aza-cyclo-penta-[def]fluorene-4,8-dithione chloro-form solvate.

Project description:In the thio-glycoluril system of the title compound, C(32)H(30)N(8)S(2)·CHCl(3), the two pyridine rings are roughly parallel, forming a dihedral angle of 7.2?(1)°, and the distance between the centroids of the two phenyl rings is 3.951?(5)?Å. The chloro-form solvent mol-ecule is linked to the main mol-ecule via a weak C-H?N hydrogen bond.

| S-EPMC3006766 | biostudies-literature

Dipropyl 4,8-dioxo-1H,5H-2,6-dioxa-3a,4a,7a,8a-tetra-azacyclo-penta-[def]fluorene-8b,8c-dicarboxyl-ate.

Project description:The title compound, C(16)H(22)N(4)O(8), is a glycoluril derivative with two propoxycarbonyl substituents on the convex face of the glycoluril system. The dihedral angle between the five-membered rings in the glycoluril unit is 72.70?(2)°. The oxadiazinane six-membered ring displays a normal chair conformation. One of the propyl groups is disordered over two positions with site occupancies of 0.557?(7) and 0.443?(7). Inter-molecular C-H?O hydrogen bonds are effective in the stabilization of the crystal structure.

| S-EPMC2915321 | biostudies-literature

Diethyl 2,6-(2,4-dichloro-phen-yl)-4,8-dioxo-2,3,6,7-tetra-hydro-1H,5H-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-8b,8c-dicarboxyl-ate.

Project description:The title mol-ecule, C(28)H(28)Cl(4)N(6)O(6), is built up from four fused rings, viz. two nearly planar imidazole five-membered rings which adopt envelope conformations with the C=O groups at the flap position, and two triazine six-membered rings which adopt chair conformations. Each six-membered ring has a 2,4-dichloro-benzyl substituent attached to an N atom. In the mol-ecule, the two ethyl groups are each disordered between two orientations in 0.784 (16)/0.216 (16) and 0.631 (10)/0.37 (10) ratios. Weak inter-molecular C-H⋯O hydrogen bonds help to stabilize the crystal packing.

| S-EPMC2968845 | biostudies-literature

4,4'-[8b,8c-Bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetra-hydro-1H,4H-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-2,6-diyl]dipyridinium bis-(tetra-fluorido-borate).

Project description:In the title compound, C(26)H(32)N(8)O(6) (2+)·2BF(4) (-), the cation is built up from four fused rings, viz. two nearly planar imidazole rings and two triazine rings exhibiting chair conformations. One eth-oxy group is disordered between two positions in an approximate ratio 3:2. The F atoms of the two anions are each rotationally disordered between two orientations in the same 3:2 ratio. The crystal structure is stabilized by inter-molecular N-H?O, C-H?F and N-H?F inter-actions.

| S-EPMC2960665 | biostudies-literature

(2R,3R,4aS,6S,7S,8aS)-4a-Fluoro-8a-hy-droxy-perhydro-naphthalene-2,3,6,7-tetrayl tetraacetate.

Project description:The title compound, C(18)H(25)FO(9), exhibits a similar unit cell and packing to the ? polymorph of axial 4a,8a-dihy-droxy-per-hydro-naph-tha-lene-2,3,6,7-tetrayl tetraacetate. The carbonyl O atoms of two of the four acetate groups in the molecule are disordered over two sites with occupancy ratios of 0.59?(4):0.41?(4) and 0.57?(6):0.43?(6). Crystal packing is effected via inter-molecular O-H?O hydrogen bonds, which link the tetra-acetate mol-ecules into tapes along the c axis.

| S-EPMC3011589 | biostudies-literature

(4aR,8aR)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:The title mol-ecule, C(20)H(20)N(2), is chiral; the absolute configuration follows from the known chirality of the input reagents. In addition to van der Waals forces, C-H⋯π ring inter-actions are also present. The angle between the planes of the phenyl rings is 65.6 (1)°. The heterocyclic ring of the quinoxaline system has a twist-boat configuration, while the cyclohexane ring has a chair configuration.

| S-EPMC2960268 | biostudies-literature

(4aR*,8aS*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:In the title compound, C(20)H(20)N(2), the quinoxaline ring adopts a very distorted half-chair conformation [N=C-C=N = 22.7 (2)° for the nominally coplanar atoms] and the cyclo-hexane ring adopts a chair conformation. The quinoxaline and cyclo-hexane rings are cis-fused. The two phenyl rings form a dihedral angle of 63.88 (7)°.

| S-EPMC3394007 | biostudies-literature

rac-(4aR,8aR)-2,3-Diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline.

Project description:The structure of the title racemic compound, C(20)H(20)N(2), shows close similarity to that of the enanti-omerically pure (4aR,8aR)-2,3-diphenyl-4a,5,6,7,8,8a-hexa-hydro-quinoxaline [Wang & Ye (2008 ?). Acta Cryst. E64, o359-o359]. The similarity applies to the unit-cell parameters as well as to the packing of the constituent mol-ecules. Similar packing is conditioned by a lack of directed inter-molecular inter-actions such as hydrogen bonds in either structure.

| S-EPMC2961730 | biostudies-literature

Chlorido(?-cyclo-penta-dien-yl)[(4a,4b,8a,9,9a-?)-fluoren-yl](fluorenyl-?C)zirconium(IV) toluene solvate.

Project description:In the title compound, [Zr(C(5)H(5))(C(13)H(9))(2)Cl]·C(7)H(8), the Zr(IV) atom is coordinated by a Cl atom, a cyclo-penta-dienyl (Cp) ligand [Zr-centroid (Cp) = 2.199?(3)?Å] and two fluorenyl ligands (Fl) [Zr-centroid (Fl) = 2.273?(2)?Å and Zr-CH from fluorenyl = 2.355?(2)?Å] in a distorted tetra-gonal geometry. The dihedral angles between the mean planes of the fluorenyl ring systems and the Cp ring are 36.62?(6)° for the ?(1)-coordinated fluorenyl and 52.85?(6)° for the ?(5)-coordinated fluorenyl, while the dihedral angle between the mean planes of the two fluorenyl ring systems is 76.18?(7)°.

| S-EPMC3050299 | 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