Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(4-Bromo-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

ABSTRACT: The crystal structure of the title compound, C(15)H(17)BrN(2)O(4)S, is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-bromo-phenyl group with the mean plane passing through the hydantoin unit is 83.29?(5)°. The cyclo-hexyl group adopts an ideal chair conformation with the methyl group in an equatorial position.

SUBMITTER: Kashif MK

PROVIDER: S-EPMC2977264 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(4-Bromo-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Kashif M Kalim MK Khawar Rauf M M Bolte Michael M Hameed Shahid S

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8

The crystal structure of the title compound, C(15)H(17)BrN(2)O(4)S, is stabilized by inter-molecular N-H⋯O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-bromo-phenyl group with the mean plane passing through the hydantoin unit is 83.29 (5)°. The cyclo-hexyl group adopts an ideal chair conformation with the methyl group in an equatorial position. ...[more]

PMID: 21583582

Similar Datasets

3-(4-Chloro-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:In the title compound, C(15)H(17)ClN(2)O(4)S, the atoms in the hydantoin ring are coplanar (r.m.s. deviation = 0.006?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-chloro-phenyl group with the plane passing through the hydantoin unit is 82.98?(4)°. The cyclo-hexyl ring adopts an ideal chair conformation.

| S-EPMC2977302 | biostudies-other

rac-Diethyl 9-hy-droxy-9-methyl-7-phenyl-1,4-diaza-spiro-[4.5]decane-6,8-dicarboxyl-ate.

Project description:The title mol-ecule, C(21)H(30)N(2)O(5), is chiral with four stereogenic centres. The crystal is a racemate and consists of enanti-omeric pairs with the relative configuration rac-(6S*,7R*,8R*,9S*). The ethyl fragment of the eth-oxy-carbonyl group at position 6 is disordered in a 0.46 (3):0.54 (3) ratio. The crystal structure features inter-molecular N-H⋯O. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds also occur.

| S-EPMC3051672 | biostudies-literature

N-[3-(4-Fluoro-benz-yl)-2,4-dioxo-1,3-diaza-spiro-[4.5]dec-8-yl]-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C(22)H(24)FN(3)O(4)S, the cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation of 0.040?(2)?Å. The dihedral angles between the five-membered ring and the tolyl and fluoro-benzene rings are 56.74?(12) and 89.88?(12)°, respectively. The two terminal benzene rings make a dihedral angle of 63.53?(12)°. The crystal structure displays inter-molecular C-H?O and N-H?O hydrogen bonds. An intra-molecular C-H?O hydrogen bond also occurs.

| S-EPMC3254453 | biostudies-literature

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-methyl-benzamide.

Project description:In the title compound, C(24)H(26)FN(3)O(4), the two aromatic rings form a dihedral angle of 88.81?(15)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.041?(2)?Å. The crystal structure displays inter-molecular C-H?O and N-H?O hydrogen bonds.

| S-EPMC3120289 | biostudies-literature

8,9-Isopropyl-idenedi-oxy-3-p-tolyl-1,6-dioxa-3-aza-spiro-[4.5]decane-2,10-dione.

Project description:In the title compound, C(17)H(19)NO(6), which may serve as a ketone catalyst for the asymmetric epoxidation of olefins, the crystal packing is consolidated by C-H⋯O inter-actions.

| S-EPMC2959605 | biostudies-literature

1-(4-Methoxy-phenyl-sulfon-yl)-5-methyl-5-phenyl-imidazolidine-2,4-dione.

Project description:The title compound, C(17)H(16)N(2)O(5)S, crystallized in the chiral monoclinic space group P2(1), with two enanti-omeric mol-ecules (A and B) in the asymmetric unit. It is composed of a methyl-imidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxy-phenyl-sulfonyl group. The benzene ring mean planes are inclined to one another by 22.20?(14)° in mol-ecule A and by 15.82?(13)° in mol-ecule B. In the crystal structure, the A and B mol-ecules are linked by N-H?O hydrogen bonds, forming centrosymmetric dimers. A number of C-H?O inter-actions are also present in the crystal structure, leading to the formation of a three-dimensinoal network.

| S-EPMC2969567 | biostudies-literature

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C(23)H(26)FN(3)O(6)S, the two terminal aromatic rings form a dihedral angle of 49.26?(12)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456?(19)?Å. The dihedral angles between the five-membered ring and the meth-oxy-benzene and fluoro-benzene rings are 33.56?(11) and 81.94?(12)°, respectively. The crystal structure displays N-H?O hydrogen bonds as well as weak inter-molecular C-H?O inter-actions.

| S-EPMC3254531 | biostudies-literature

Crystal structure of (5'S,8'S)-3-(2,5-di-methyl-phen-yl)-8-meth-oxy-3-nitro-1-aza-spiro-[4.5]decane-2,4-dione.

Project description:The title compound, C18H22N2O5, was synthesized by nitrification of its enol precursor. The pyrrolidine ring plane adopts a twisted conformation about the C-C bond linking the spiro centre and the C=O group remote from the N atom. It makes dihedral angles of 71.69 (9) and 88.92 (9)°, respectively, with the benzene ring plane and the plane defined by the four C atoms that form the seat of the of the cyclo-hexane chair. At the spiro centre, the NH group is axial and the C=O group is equatorial with respect to the cyclo-hexane ring. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(8) loops. The dimers are linked by C-H⋯O inter-actions, generating a three-dimensional network.

| S-EPMC4438798 | biostudies-literature

Ethyl (2E,4E)-5-(3-bromo-phenyl-sulfon-yl)penta-2,4-dienoate.

Project description:In the title compound, C13H13BrO4S, both C=C double bonds adopt an E conformation. The S atom has a distorted tetra-hedral geometry with bond angles ranging from 102.17 (13) to 119.77 (14)°. The ethyl acrylate substituent adopts an extented conformation with all torsion angles close to 180°. In the crystal, mol-ecules are linked into centrosymmetric R 2 (2)(14) dimers via pairs of C-H⋯O hydrogen bonds.

| S-EPMC3629522 | biostudies-literature

(Z)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diaza-bicyclo-[4.2.0]octane-2,4-dione.

Project description:The title compound, C(20)H(20)N(2)O(3), is a head-to-tail oxetane, one of the regioisomers obtained by the the Paternó-Büchi reaction of 1,3-dimethyl-thymine with benzophenone. The oxetane ring is folded, the dihedral angle between the C-O-C and C-C-C planes being 14.4 (2)°. The dihedral angle between the two phenyl rings is 64.3 (2)°. The pyrimidine ring adopts a boat conformation. The crystal structure involves weak C-H⋯O hydrogen bonds.

| S-EPMC2961230 | 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