Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3-Dihydro-1H-pyrrolizin-1-one.

ABSTRACT: There are two nearly identical mol-ecules in the asymmetric unit of the title compound, C(7)H(7)NO. The mol-ecules are nearly planar (r.m.s. deviations of 0.025 and 0.017?Å) and oriented at a dihedral angle of 28.98?(3)°. The two mol-ecules are linked by a C-H?O hydrogen bond. In the crystal, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into zigzag chains along the c axis.

SUBMITTER: Ali Y

PROVIDER: S-EPMC2983252 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3-Dihydro-1H-pyrrolizin-1-one.

Ali Yousaf Y Peng Yu Y Hua Erbing E Anwar Mohammad Aijaz MA Kalhoro Mehboob Ali MA

Acta crystallographica. Section E, Structure reports online 20100925 Pt 10

There are two nearly identical mol-ecules in the asymmetric unit of the title compound, C(7)H(7)NO. The mol-ecules are nearly planar (r.m.s. deviations of 0.025 and 0.017 Å) and oriented at a dihedral angle of 28.98 (3)°. The two mol-ecules are linked by a C-H⋯O hydrogen bond. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into zigzag chains along the c axis. ...[more]

PMID: 21587587

Similar Datasets

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

(E)-2-(2-Furylmethyl-idene)-2,3-dihydro-1H-pyrrolizin-1-one.

Project description:The title compound, C(12)H(9)NO(2), was prepared by an Aldol reaction of furfuraldehyde with 2,3-dihydro-1H-pyrrolizin-1-one. The mol-ecule is almost planar, with an r.m.s. deviation of 0.045?Å, excluding the methyl-ene H atoms. In the crystal structure, mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonding and aromatic ?-? stacking [centroid-centroid distance = 3.6151?(9)?Å].

| S-EPMC3006878 | biostudies-other

1-Benzyl-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title compound, C(16)H(15)NO, the two aromatic rings are approximately perpendicular; the carbonyl group is twisted out of the adjacent benzene ring by 14.8 (2)°. In the heterocyclic ring, the C atom linked to the carbonyl group and the C atom linked to the N atom have opposite deviations of 0.467 (5) and 0.184 (4) Å, respectively, from the plane of the benzene ring. The N atom lies approximately in the plane of the phenyl ring. There are no conventional hydrogen bonds; the packing of mol-ecules in the crystal structure is stabilized by van der Waals forces.

| S-EPMC2960188 | biostudies-literature

2,2,7-Trimethyl-2,3-dihydro-quinazolin-4(1H)-one.

Project description:There are two independent mol-ecules in the the asymmetric unit of the title compound, C(11)H(14)N(2)O. The heterocyclic ring of the bicyclic system has a sofa conformation, with the C atom bearing the two methyl groups displaced by 0.541 (7) Å from the rest of the atoms of the ring [planar to within 0.064 (9) Å]. Mol-ecules are linked into centrosymmetric dimers via N-H⋯O hydrogen bonds.

| S-EPMC2969724 | biostudies-literature

One-pot synthesis of novel 2,3-dihydro-1H-indazoles.

Project description:A copper(I)-mediated one-pot synthesis of 2,3-dihydro-1H-indazole heterocycles has been developed. This synthetic route provides the desired indazoles in moderate to good yields (55%-72%) which are substantially better than those achievable with an alternative two-step reaction sequence. The reaction is tolerant of functionality on the aromatic ring.

| S-EPMC6264256 | biostudies-literature

9-Ethyl-2,3-dihydro-9H-carbazol-4(1H)-one.

Project description:In the title compound, C(28)H(30)N(2)O(2), the cyclo-hexene ring system adopts a sofa conformation. The crystal structure is stabilized by C-H⋯O inter-actions between methyl H atoms of the ethyl substituents and the O atoms of carbonyl groups of adjacent mol-ecules, and by an inter-molecular carbon-yl-carbonyl inter-actions [3.207 (2) Å].

| S-EPMC2960498 | biostudies-literature

4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one monohydrate.

Project description:The seven-membered fused-ring in the title compound, C(10)H(10)N(2)O·H(2)O, adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow). In the crystal, two benzodiazepinone mol-ecules are linked about a center of inversion by diazepine-carbonyl N-H?O hydrogen bonds. The dimers are further linked by water-diazepine O-H?N hydrogen bonds, forming a linear chain.

| S-EPMC2979438 | biostudies-literature

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

1-Allyl-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one.

Project description:The seven-membered ring in the title compound, C(18)H(16)N(2)O, adopts a boat conformation with the two phenyl-ene carbons representing the stern and the methyl-ene C atom the prow. The dihedral angle between the best plane through the seven-membered ring and the phenyl ring is 62.13?(3)°.

| S-EPMC2979523 | biostudies-literature

5-Bromo-2,3-dihydro-1H-cyclo-penta-[a]naphthalen-1-one.

Project description:The title compound, C(13)H(9)BrO, has been synthesized by the intra-molecular Friedel-Crafts reaction of 1-(1-bromo-4-naphth-yl)-3-chloro-propan-1-one. There are two approximately planar [maximum deviations of 0.8 (2) and 0.4 (2) Å in the two mol-ecules] molecules in the asymmetric unit. The dihedral angle between their mean planes is 19.72 (8)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC2970092 | 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