Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Rac-18-Meth-oxy-coronaridine hydro-chloride.

ABSTRACT: In the crystal structure of the racemic title compound, C(22)H(29)N(2)O(3) (+)·Cl(-), both NH groups form N-H?Cl hydrogen bonds with the chloride counter-ion, forming translational chains along the a axis.

SUBMITTER: Kuehne ME

PROVIDER: S-EPMC3344002 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

rac-18-Meth-oxy-coronaridine hydro-chloride.

Kuehne Martin E ME Waterman Rory R

Acta crystallographica. Section E, Structure reports online 20120310 Pt 4

In the crystal structure of the racemic title compound, C(22)H(29)N(2)O(3) (+)·Cl(-), both NH groups form N-H⋯Cl hydrogen bonds with the chloride counter-ion, forming translational chains along the a axis. ...[more]

PMID: 22589911

Similar Datasets

4-Meth-oxy-benzamidinium chloride monohydrate.

Project description:In the cation of the title compound, C(8)H(11)N(2)O(+)·Cl(-)·H(2)O, the C-N bonds of the amidinium group are identical within experiemental error [1.305?(2) and 1.304?(2)?Å], and its plane forms a dihedral angle of 25.83?(8)° with the phenyl ring. The ionic components are associated in the crystal into polymeric hydrogen-bonded supra-molecular tapes stabilized by N-H(+)?Cl(-) and N-H(+)?Ow inter-molecular hydrogen bonds, and by Ow-H?Cl(-) inter-actions.

| S-EPMC3515188 | biostudies-literature

3-Meth-oxy-3-oxopropanaminium chloride.

Project description:In the title compound, C(4)H(10)NO(2) (+)·Cl(-), the central ethyl-ene bond of the cation adopts a gauche conformation. The three H atoms of the -NH(3) (+) group are engaged in strong and highly directional inter-molecular N-H?Cl hydrogen bonds, which result in a tape-like arrangement along [010] of the respective ion pairs. In addition, weak inter-molecular C-H?Cl and C-H?O inter-actions are present.

| S-EPMC3297319 | biostudies-literature

15-Meth-oxy-14,15-di-hydro-andranginine.

Project description:The title polycyclic alkaloid, C22H26N2O3, an indole derivative obtained from Melodinus yunnanensis, comprises three chiral C atoms and crystallizes as a racemate. Its seven-membered heterocyclic ring has a twisted conformation, with the N atom within the plane of the indole moiety and with two adjacent C atoms deviating in opposite directions from its plane by 0.756 (3) (methyl-ene C) and -0.802 (3) Å (methine C). In the crystal, pairs of N-H⋯O hydrogen bonds connect the mol-ecules into centrosymmetric dimers.

| S-EPMC3684921 | biostudies-literature

(4-Meth-oxy-phen-yl)methanaminium chloride.

Project description:In the crystal structure of the title salt, C(8)H(12)NO(+)·Cl(-), the methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s. deviation from the mean plane of only 0.005 Å. The ammonium N atom deviates from this plane by 1.403 (1) Å. In the crystal, the (4-meth-oxy-phen-yl)methan-aminium cations and chloride anions are linked by N-H⋯Cl and C-H⋯O hydrogen bonds, resulting in an open framework architecture with hydrogen-bonded ammonium groups and chloride anions located in layers parallel to (011), separated by more hydrophobic layers with interdigitating anisole groups.

| S-EPMC3051976 | biostudies-literature

{rac-5-[Meth-oxy(phen-yl)meth-yl]-10,20-diphenyl-porphyrinato}nickel(II).

Project description:The title compound, [Ni(C(40)H(28)N(4)O)], was obtained from a Grignard reaction of the respective formyl-porphyrin to yield {5-[hy-droxy(phen-yl)meth-yl]-10,20-diphenyl-porphyrinato}nickel(II), followed by crystallization from methyl-ene chloride/methanol. The mol-ecule exhibits a ruffled macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (Δ24) of 0.26 Å and an average Ni-N bond length of 1.931 (2) Å. In line with the asymmetrical substituent pattern, the degree of distortion is slightly larger at point of attachment of the meth-oxy(phen-yl)methyl residue than at the unsubstituted meso position. The meth-oxy group attached to the chiral C atom is disordered in a 0.534 (4):0.466 (4) ratio.

| S-EPMC3051756 | biostudies-literature

rac-1-[6-Hy-droxy-4-(4-meth-oxy-phen-yl)-3,6-dimethyl-4,5,6,7-tetra-hydro-2H-indazol-5-yl]ethanone.

Project description:The title compound, C(18)H(22)N(2)O(3), represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hy-droxy- and acetyl-substituted C atoms deviating by 0.458?(2) and -0.366?(2)?Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004?(2)?Å]. In the crystal, the mol-ecules are linked into chains along the b axis by N-H?N hydrogen bonds. The chains are linked by O-H?N hydrogen bonds into layers parallel to the bc plane.

| S-EPMC3569776 | biostudies-literature

6-Meth-oxy-1-(4-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-9H-?-carbolin-2-ium acetate.

Project description:In the title compound, C(19)H(21)N(2)O(2) (+)·C(2)H(3)O(2) (-), the 1H-indole ring system is essentially planar [maximum deviation = 0.0257?(14)?Å] and forms a dihedral angle of 87.92?(7)?Å with the benzene ring attached to the tetra-hydro-pyridinium fragment. The tetra-hydro-pyridinium ring adopts a half-chair conformation. In the crystal, cations and anions are linked by inter-ionic N-H?O, C-H?O and C-H?N hydrogen bonds into chains along the a axis.

| S-EPMC3344593 | biostudies-literature

rac-Methyl 3-(2-meth-oxy-phen-yl)-1-phenyl-3,3a,4,9b-tetra-hydro-1H-chromeno[4,3-c]isoxazole-3a-carboxyl-ate.

Project description:The title compound, C(25)H(23)NO(5), comprising two stereogenic carbon atoms of the same configuration, crystallizes in a centrosymmetric space group as a racemate. The six-membered pyran ring and the five-membered isoxazole ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 10.73?(7)°. The crystal structure features C-H?O hydrogen bonds.

| S-EPMC3393263 | biostudies-literature

2-(4-Meth-oxy-phenyl)-2-oxoethan-aminium chloride.

Project description:In the cation of the title compound, C(9)H(12)NO(2) (+)·Cl(-), the dihedral angle between the 2-oxoethanaminium N-C-C(=O)- plane [maximum deviation = 0.0148?(12)?Å] and the benzene ring is 7.98?(8)°. The meth-oxy group is approximately in-plane with the benzene ring, with a C-O-C-C torsion angle of -2.91?(18)°. In the crystal, the cations and chloride anions are connected by N-H?Cl and C-H?Cl hydrogen bonds, forming a layer parallel to the bc plane. A C-H?? inter-action further links the layers.

| S-EPMC3470349 | biostudies-literature

rac-2-{[1-(1-Adamant-yl)eth-yl]imino-meth-yl}-5-meth-oxy-phenol.

Project description:A novel Schiff base compound, C(20)H(27)NO(2), was obtained by a condensation of rimantadine and 2-hy-droxy-4-meth-oxy-benzaldehyde. An intra-molecular O-H?N hydrogen bond supports the phenol-imine tautomeric form. The adamantane and imino-methyl-4-meth-oxy-phenol units are arranged in a folded conformation [C-N-C-C torsion angle = 110.9?(3)°]. In the crystal, highly hydro-phobic adamantane moieties are inserted between the imino-methyl-4-meth-oxy-phenol units in a sandwich-like arrangement along the c axis.

| S-EPMC3200738 | 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