Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3-Methoxy-phen-yl)-tert-butane-sulfinamide.

ABSTRACT: In the title compound, C(11)H(17)NO(2)S, the mol-ecules inter-act in a head-to-tail fashion through pairs of N-H?O hydrogen bonds, giving discrete centrosymmetric dimers. The N(H)S(O)(t)Bu fragment is disordered over two sets of positions, with the major component comprising 90.0?(2)%.

SUBMITTER: Datta M

PROVIDER: S-EPMC2980236 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-(3-Methoxy-phen-yl)-tert-butane-sulfinamide.

Datta Mrityunjoy M Buglass Alan J AJ Elsegood Mark R J MR

Acta crystallographica. Section E, Structure reports online 20091212 Pt 1

In the title compound, C(11)H(17)NO(2)S, the mol-ecules inter-act in a head-to-tail fashion through pairs of N-H⋯O hydrogen bonds, giving discrete centrosymmetric dimers. The N(H)S(O)(t)Bu fragment is disordered over two sets of positions, with the major component comprising 90.0 (2)%. ...[more]

PMID: 21579998

Similar Datasets

N-(4-Methoxy-phen-yl)-tert-butane-sulfinamide.

Project description:In the title compound, C(11)H(17)NO(2)S, the mol-ecules inter-act head-to-tail through N-H?OS hydrogen bonds, giving discrete centrosymmetric cyclic dimers. The N-C(ar-yl) bond length [1.4225?(14)?Å] is inter-mediate between that in N-phenyl-tert-butane-sulfinamide [1.4083?(12)?Å] and the N-C(alk-yl) bond lengths in N-alkyl-alkanesulfinamides (1.470-1.530?Å), suggesting weaker delocalization of electrons over the N atom and the aromatic ring due to the presence of the 4-meth-oxy group.

| S-EPMC2971111 | biostudies-literature

2-(2-Methoxy-phen-yl)butane-dinitrile.

Project description:In the title compound, C(11)H(10)N(2)O, the butane-dinitrile unit adopts a synclinal conformation. The crystal packing is stabilized by weak inter-molecular C-H?N hydrogen bonding.

| S-EPMC2979281 | biostudies-literature

2-(3-Methoxy-phen-yl)butane-dinitrile.

Project description:In the title compound, C(11)H(10)N(2)O, the dicyano-ethyl-ene portion has an anti conformation. The crystal structure features non-classical C-H?N and C-H?O inter-actions.

| S-EPMC2977830 | biostudies-other

Di-tert-butyl N-[2,6-bis-(methoxy-meth-oxy)phen-yl]imino-diacetate.

Project description:The title mol-ecule, C(20)H(31)NO(8), has pseudo-C2 symmetry about the C-N bond, with the bis-(tert-butoxy-carbon-yl)amino group twisted from the benzene ring plane by ca 60° and the bulky tert-butoxy-carbonyl (Boc) groups are orientated away from the substituted aniline group. As part of an anti-bacterial drug discovery programme furnishing analogues of platensimycin, we unexpectedly synthesized the bis-Boc-protected aniline.

| S-EPMC2968827 | biostudies-literature

(R)-N-(3-Meth-oxy-phen-yl)-tert-butane-sulfinamide.

Project description:The title compound, C(11)H(17)NO(2)S, was obtained by the reaction of (R)-tert-butane-sulfinamide with 3-meth-oxy-phenyl bromide in toluene. In the crystal, mol-ecules inter-act head-to-tail through N-H?O and C-H?O hydrogen bonds, forming one-dimensional chains parallel to the a axis.

| S-EPMC3297844 | biostudies-other

Ethyl 1-tert-butyl-2-(4-methoxy-phen-yl)-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title mol-ecule, C(21)H(24)N(2)O(3), the imidazole ring is essentially planar, with a maxium deviation of 0.015?(1)?Å. The dihedral angle between the benzene and imidazole rings is 65.47?(6)°. The crystal packing is stabilized by weak inter-molecular C-H?O and C-H?N hydrogen bonds, forming zigzag chains along the c axis. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC2984033 | biostudies-literature

(R)-N-(Biphenyl-4-yl)-tert-butane-sulfinamide.

Project description:In the title compound, C(16)H(19)NOS, the dihedral angle between the two aromatic rings is 38.98?(8)°. The crystal structure is stabilized by N-H?O hydrogen bonds, which link neighbouring mol-ecules into chains running parallel to the a axis.

| S-EPMC3344516 | biostudies-literature

tert-Butyl 5-(4-methoxy-phen-yl)-1-methyl-2-oxopyrrolidin-3-yl carbonate.

Project description:In the title compound, C(17)H(23)NO(5), the pyrrolidinone ring is in an envelope conformation. The tert-butyl carbonate and 4-methoxy-phenyl groups are arranged on the same side of the pyrrolidinone ring. The meth-oxy group is coplanar with the attached benzene ring. The mol-ecules are linked into chains along the b axis via C-H?O hydrogen bonds.

| S-EPMC2960895 | biostudies-other

4-(3-Methoxy-phen-yl)-3-[2-(4-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The asymmetric unit of the title compound, C(18)H(19)N(3)O(3), contains two crystallographically independent but similar mol-ecules. The triazole ring is oriented with respect to the benzene rings to form dihedral angles of 57.96?(6) and 7.01?(6)° in one mol-ecule, and 64.37?(5) and 10.73?(5)° in the other. The two independent mol-ecules are linked into a dimer by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2968207 | biostudies-literature

4-(4-Methoxy-phen-yl)-3-[2-(2-methoxy-phen-yl)eth-yl]-1H-1,2,4-triazol-5(4H)-one.

Project description:The title compound, C(18)H(19)N(3)O(3), is a biologically active triazole derivative. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 51.59?(4) and 61.37?(4)°. The crystal structure is stabilized by inter-molecular N-H?O hydrogen-bond inter-actions between centrosymmetrically related mol-ecules [the dihedral angle between the benzene rings is 47.44?(5)°].

| S-EPMC2968336 | 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