Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Methyl-3,3-bis-(morpholin-4-yl)-1-[2-(morpholin-4-yl)eth-yl]-2,3-dihydro-1H-indol-2-one.

ABSTRACT: In the title compound, C(23)H(34)N(4)O(4), the morpholine rings adopt chair conformations. The N atom of the indol-2-one group is linked to the N atom of one morpholine ring through a flexible ethyl group with an almost cif conformation. In the crystal, molecules are linked by C-H?O interactions into infinite chains along the c direction. The almost parallel infinite chains are further inter-connected via other sets of C-H?O inter-actions, forming a three-dimensional framework.

SUBMITTER: Lin HH

PROVIDER: S-EPMC3297882 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

5-Methyl-3,3-bis-(morpholin-4-yl)-1-[2-(morpholin-4-yl)eth-yl]-2,3-dihydro-1H-indol-2-one.

Lin Hui-Hui HH Wu Wei-Yao WY Zhang Jing-Jing JJ Cao Sheng-Li SL

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

In the title compound, C(23)H(34)N(4)O(4), the morpholine rings adopt chair conformations. The N atom of the indol-2-one group is linked to the N atom of one morpholine ring through a flexible ethyl group with an almost cif conformation. In the crystal, molecules are linked by C-H⋯O interactions into infinite chains along the c direction. The almost parallel infinite chains are further inter-connected via other sets of C-H⋯O inter-actions, forming a three-dimensional framework. ...[more]

PMID: 22412685

Similar Datasets

3,3-Dieth-oxy-5-fluoro-2,3-dihydro-1H-indol-2-one.

Project description:The title ketal, C(12)H(14)FNO(3), crystallized with two independent molecules in the asymmetric unit. In each molecule the fused ring system is essentially planar [maximum deviations of 0.0169?(11) and 0.0402?(13)?Å]. The mol-ecules are each hydrogen bonded across a center of inversion into a dimer; adjacent dimers are linked by another N-H?O hydrogen bond, forming a chain running along [100].

| S-EPMC3275234 | biostudies-literature

2,2-Bis(hy-droxy-meth-yl)-2,3-dihydro-1H-pyrrolizin-1-one.

Project description:The title compound, C(9)H(11)NO(3), was prepared by an Aldol reaction of 2,3-dihydro-1H-pyrrolizin-1-one with formaldehyde. The asymmetric unit contains six mol-ecules. The pyrrolizine ring system in each mol-ecule is planar, the maximum atomic deviation being 0.066 (2) Å. In the crystal structure, mol-ecules are liked together by an extensive O-H⋯O hydrogen-bonding network.

| S-EPMC3006763 | biostudies-literature

2,2'-Bis(methyl-ene)-3,3'-(2-thioxo-2,3-dihydro-1H-benzimidazole-1,3-di-yl)dipropane-nitrile.

Project description:In the title compound, C(15)H(12)N(4)S, the benzimidazole ring is essentially planar, with a mean deviation of 0.0082?(1)?Å from the least-squares plane defined by the nine constituent atoms. In the crystal, inversion dimers linked by pairs of C-H?N hydrogen bonds occur.

| S-EPMC2971137 | biostudies-literature

1,3-Bis[(1H-benzotriazol-1-yl)meth-yl]-2,3-dihydro-1H-benzimidazole.

Project description:In the title compound, C(21)H(18)N(8), the two (benzotriazol-1-yl)methyl groups are located in an anti position with respect to the benzimidazoline moiety. The dihedral angles between the benzotriazole ring systems and the central benzimidazoline moiety are 57.03 (4) and 81.01 (3)°. The crystal packing is stabilized by two C-H⋯π inter-actions.

| S-EPMC3099965 | biostudies-literature

2,2-Bis(1H-indol-3-yl)indolin-3-one.

Project description:In the title mol-ecule, C(24)H(17)N(3)O, the mean plane of the indolone ring forms dihedral angles of 112.0?(1) and 103.1?(1)° with the planes of the two indole rings. The dihedral angle between the mean planes of the two indole rings is 63.5?(1)°. In the crystal structure, mol-ecules are linked via inter-molecular N-H?O hydrogen bonds, forming a two-dimensional network parallel to the ab plane.

| S-EPMC2969773 | biostudies-literature

2-[(Z)-4,7-Dichloro-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl-idene]-3-oxopropane-nitrile.

Project description:In the title compound, C(13)H(10)Cl(2)N(2)O, the ring N atom and its three attached atoms are essentially coplanar with angles adding to 359.8°, indicating conjugation with the 2-formyl-acrylonitrile subunit. The aldehyde group is oriented to place the carbonyl O atom 2.02?(3)?Å from the N-H hydrogen atom. Intra-molecular N-H?O and C-H?Cl inter-actions occur. The geometry of the exocyclic double bond is Z. In the crystal, weak C-H?N hydrogen bonds link the mol-ecules into chains along [1[Formula: see text]0].

| S-EPMC3254565 | biostudies-other

2-(2-{[4-Oxo-3-(2-phenyl-eth-yl)-3,4-dihydro-quinazolin-2-yl]sulfan-yl}eth-yl)-2,3-dihydro-1H-isoindole-1,3-dione.

Project description:In the title compound, C(26)H(21)N(3)O(3)S, the quinazolinyl group is essentially planar [r.m.s. deviation for the 10 non-H atoms = 0.057?Å]. The isoindoline-1,3-dione group is linked by an SCH(2)CH(2) chain to the pyrimidinyl C atom that lies between the two N atoms. Also, the phenyl group is linked by a CH(2)CH(2) chain at the N atom adjacent to the carbonyl group. This results in a conformation with these substituents lying to either side of the central quinazolinyl unit, with the former being approximately parallel [dihedral angle = 4.93?(7)°], and the phenyl group being inclined [dihedral angle = 71.61?(9)°] to the central quinazolinyl fused-ring system. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by C-H?O inter-actions, involving all three carbonyl-O atoms, and ?-? inter-actions occurring between the pyrimidinyl and isoindole-benzene rings [inter-centroid distance = 3.5330?(13)?Å].

| S-EPMC3393323 | biostudies-literature

2-(4-{3-[1-(3-Bromo-prop-yl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-yl-idene]prop-1-en-yl}-3-cyano-5,5-dimethyl-2,5-dihydro-furan-2-yl-idene)malononitrile.

Project description:The backbone of the title mol-ecule, C(26)H(25)BrN(4)O, is approximately planar: the dihedral angle between the planes of the indoline ring system and the furan ring is 7.68 (14)°. In the crystal, layers lying parallel to (10) occur, with the mol-ecules inter-acting via weak C-H⋯N(cyano) and C-H⋯Br bonds and short N(cyano)⋯Br contacts [3.345 (4) Å].

| S-EPMC2969784 | biostudies-literature

2,4-Bis(4-fluoro-phen-yl)-2,3-dihydro-1H-1,5-benzodiazepine.

Project description:In the title compound, C(21)H(16)F(2)N(2), the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6?(2) and 78.8?(2)° with those of two fluoro-phenyl substituents. In the crystal, inversion dimers linked by two weak C-H?F hydrogen bonds generate R(2) (2)(20) ring motifs. There are also weak N-H?? and C-H?? inter-actions.

| S-EPMC3089231 | biostudies-literature

[2-(1H-Indol-4-yl)eth-yl]dipropyl-amine.

Project description:In the title compound, C(16)H(24)N(2), the aliphatic amine substituent is rotated almost orthogonally [C-C-C-C torsion angle = 75.7 (3)°] out of the plane of the indole unit. The amine N atom has a pyramidal configuration deviating by 0.380 (3) Å from the plane of the adjacent C atoms. All of the aliphatic groups are in extended transoid conformations. In the crystal, mol-ecules form chains along the a axis via N-H⋯N hydrogen bonds.

| S-EPMC3344611 | 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