Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(2-Methyl-1,3-dioxolan-2-yl)-1,1-diphenyl-ethanol.

ABSTRACT: The mol-ecules of the title compound, C(18)H(20)O(3), display an intra-molecular O-H?O hydrogen bond between the hydr-oxy donor and a ketal O-atom acceptor. In the crystal, inter-molecular C-H?? inter-actions connect adjacent mol-ecules into chains parallel to the b axis.

SUBMITTER: Arnold DP

PROVIDER: S-EPMC2980271 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(2-Methyl-1,3-dioxolan-2-yl)-1,1-diphenyl-ethanol.

Arnold Dennis P DP McMurtrie John C JC

Acta crystallographica. Section E, Structure reports online 20091224 Pt 1

The mol-ecules of the title compound, C(18)H(20)O(3), display an intra-molecular O-H⋯O hydrogen bond between the hydr-oxy donor and a ketal O-atom acceptor. In the crystal, inter-molecular C-H⋯π inter-actions connect adjacent mol-ecules into chains parallel to the b axis. ...[more]

PMID: 21580107

Similar Datasets

2-(6-Methyl-2-pyrid-yl)-1,1-diphenyl-ethanol.

Project description:The title compound, C(20)H(19)NO, was prepared from 2,6-lutidine and benzophenone. There are two symmetry-independent mol-ecules in the asymmetric unit. Each mol-ecule is involved in one intra-molecular O-H?N hydrogen bond. In the crystal structure, helical chains are formed along the b axis by weak ?-? inter-actions between neighbouring mol-ecules [centroid-centroid distances between the pyridyl rings of the two independent mol-ecules = 4.041?(3) and 4.051?(3)?Å].

| S-EPMC2960519 | biostudies-literature

4,4-Bis(4-methyl-phenyl-sulfan-yl)-1,1-diphenyl-2-aza-buta-1,3-diene.

Project description:In the title compound, C(29)H(25)NS(2), both the Cl atoms of the aza-diene precursor 4,4-dichloro-1,1-diphenyl-2-aza-buta-1,3-diene are replaced by two vicinal S-p-tolyl substituents attached to the terminal C atom of a ?-conjugated 2-aza-butadiene array. The aza-diene chain is planar to within 0.01?Å. One of the phenyl rings seems to be slightly ?-conjugated with the aza-diene core [dihedral angle 5.1?(2)°].

| S-EPMC2960289 | biostudies-literature

3-(1,3-Dioxolan-2-yl)-2-hydrazino-7-methyl-quinoline.

Project description:In the title mol-ecule, C(13)H(15)N(3)O(2), the dihedral angle between the mean plane of the 1,3-dioxolane group and the 2-hydrazino-7-methyl-isoquinoline unit is 85.21?(5)°. The conformation of the mol-ecule is influenced by bifurcated N-H?(O,O) and N-H?N intra-molecular hydrogen bonds. In the crystal structure, mol-ecules are linked via inter-molecular N-H?O hydrogen bonds, forming extended chains along [001].

| S-EPMC2968224 | biostudies-literature

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxy-propanoate.

Project description:In the title compound, C(10)H(16)O(6), the five-membered ring has an envelope conformation. The packing involves hydrogen-bonded carboxylic acid inversion dimers and three C-H?O inter-actions.

| S-EPMC2969742 | biostudies-literature

2-Methyl-1,3-benzoxazol-4-yl diphenyl-phosphinate.

Project description:The title compound, C(20)H(16)NO(3)P, was synthesized by the addition of diphenyl-phosphine chloride to a tetra-hydro-furan solution of Et(3)N and 2-methyl-1,3-benzoxazol-4-ol at 233?K. In the mol-ecule, the almost planar (r.m.s. deviation = 0.010?Å) benzoxazole moiety is attached to the slightly distorted tetra-hedral P atom [C-P-C-C torsion angle = 132.20?(18)°]. The crystal structure does not exhibit any significant inter-molecular inter-actions.

| S-EPMC3051727 | biostudies-literature

1,1'-(Diselanediylbis{[P,P-diphenyl-N-(tri-methyl-sil-yl)phospho-rimido-yl]methanylyl-idene})bis-[1,1-diphenyl-N-(tri-methyl-sil-yl)-?(5)-phosphanamine] pentane disolvate.

Project description:The title compound, C62H78N4P4Se2Si4·2C5H12, is made up of two [SeC(PPh2NSiMe3)(PPh2NHSiMe3)] units related by an inversion center situated at the mid-point of the diselenide bond. It crystallized with two disordered mol-ecules of pentane used as solvent of crystallization. It is a rare example of an anti-periplanar diselenide and exhibits a long Se-Se bond of 2.4717?(8)?Å. The Se-C bond length of 1.876?(5)?Å is short in comparison with the range of values found for other diselenides (1.91-1.97?Å). The mol-ecule exhibits two intra-molecular N-H?N hydrogen bonds. In the crystal, there are no significant inter-molecular inter-actions present. One of the Me3Si- groups is disordered over two positions with a refined occupancy ratio of 0.708?(8):0.292?(8). The contribution of the disordered solvent to the scattering was removed with the SQUEEZE option of PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. The solvent contribution has been included in the reported mol-ecular weight and density.

| S-EPMC3914070 | biostudies-literature

2,2,4,4-Tetra-phenyl-1,3-bis-(3,3,5,5-tetra-methyl-1,1-diphenyl-5-vinyl-trisilox-an-1-yl)-cyclo-disilazane.

Project description:The title mol-ecule, C(60)H(70)N(2)O(4)Si(8), lies on an inversion center. In the asymmetric unit, one of the phenyl rings is disordered over two sets of sites with refined occupancies 0.58?(2) and 0.42?(2). In addition, in two substitution sites of the terminal dimeth-yl(vin-yl)silyl unit, a methyl group and the vinyl group are disordered over the same site with refined occupancies 0.523?(13) and 0.477?(13).

| S-EPMC3089304 | biostudies-literature

2-Methyl-1,1-diphenyl-2-[(4S)-4-phenyl-4,5-di-hydro-1,3-oxazol-2-yl]propan-1-ol.

Project description:In the title compound, C25H25NO2, the phenyl ring on the 1,3-oxazole ring is disordered over two positions with occupancies of 0.600?(4) and 0.400?(4). The inter-planar angle between these two disordered rings is 77.8?(2)°. There is an intra-molecular O-H?N hydrogen bond of moderate strength. In the crystal, C-H?? inter-actions interconnect neighbouring molecules. The absolute structure has been derived from the known absolute structure of the reagents.

| S-EPMC3772460 | biostudies-literature

(E)-1,1-Diphenyl-2-(thio-phen-2-yl-methyl-idene)hydrazine.

Project description:The asymmetric unit of the title compound, C17H14N2S, consists of two crystallographically independent mol-ecules with similar conformations. The dihedral angles between the phenyl rings are 89.32?(5) and 82.80?(5)° in the two mol-ecules. In the crystal, mol-ecules are linked by C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC3914106 | biostudies-literature

7-(1,3-Dioxolan-2-ylmeth-yl)-1,3-di-methyl-purine-2,6(1H,3H)-dione trichloro-acetic acid solvate.

Project description:In the title compound, C(11)H(14)N(4)O(4)·C(2)HCl(3)O(2), the dioxolane ring adopts an envelope conformation. Doxophylline [7-(1,3-dioxolan-2-yl-meth-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione] and trichloro-acetic acid mol-ecules are linked by O-H?N and C-H?O hydrogen bonds.

| S-EPMC2915388 | 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