Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(2E)-2-[(2E)-3-Phenyl-prop-2-en-1-yl-idene]-2,3-dihydro-1H-inden-1-one.

ABSTRACT: The title indan-1-one derivative, C(18)H(14)O, is planar with an r.m.s. deviation for all 19 non-H atoms of 0.098?Å. The conformation about each of the C=C bonds [1.343?(3) and 1.349?(3)?Å] is E. Supra-molecular layers in the bc plane, mediated by C-H?O and ?-? [ring centroid-centroid distance = 3.5282?(15)?Å] inter-actions, feature in the crystal packing.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3297876 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

(2E)-2-[(2E)-3-Phenyl-prop-2-en-1-yl-idene]-2,3-dihydro-1H-inden-1-one.

Asiri Abdullah M AM Faidallah Hassan M HM Al-Nemari Khulud F KF Ng Seik Weng SW Tiekink Edward R T ER

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

The title indan-1-one derivative, C(18)H(14)O, is planar with an r.m.s. deviation for all 19 non-H atoms of 0.098 Å. The conformation about each of the C=C bonds [1.343 (3) and 1.349 (3) Å] is E. Supra-molecular layers in the bc plane, mediated by C-H⋯O and π-π [ring centroid-centroid distance = 3.5282 (15) Å] inter-actions, feature in the crystal packing. ...[more]

PMID: 22412679

Similar Datasets

(2E)-2-(Furan-2-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(14)H(10)O(2), the five-membered ring of the inden-1-one residue is almost planar (r.m.s. deviation = 0.035?Å). A twist about the single bond linking the two residues is evident [C-C-C-C torsion angle = -13.2?(5)°]. The three-dimensional architecture is stabilized by C-H?O (involving the trifurcated carbonyl O atom), C-H?? and ?-? inter-actions [between the five- and six-membered rings of inden-1-one residues; ring centroid-centroid distance = 3.7983?(17)?Å]. The sample studied was a non-merohedral twin; the minor component refined to approximately 36%.

| S-EPMC3344023 | biostudies-literature

Ortho-rhom-bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:The title compound, C(18)H(14)O, is polymorphic at 123 K. The ortho-rhom-bic form reported herein has two independent mol-ecules in the asymmetric unit, with mol-ecular volume 313.5 Å(3). The previously reported triclinic (P-1) form [Raston & Scott (2000 ▶). Green Chem., 2, 49-52] has mol-ecular volume 309.6 Å(3) at the same temperature. All three mol-ecules deviate significantly and systematically from the putative C(s) symmetry (δ(r.m.s.) = 0.0265, 0.0256, 0.0497 Å). Comparison of the two molecules in the orthorhombic polymorph shows that 16 of the 19 equivalent pairs of framework atoms have a mirror-image pattern of deviations (above/below plane), suggesting that the two are quasi-enanti-omorphs. The pattern of deviations in the triclinic form is nearly the same (13 of 19 atom pairs) as the ortho-rhom-bic form.

| S-EPMC3435792 | biostudies-literature

(2E)-2-[(2H-1,3-Benzodioxol-5-yl)methyl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(17)H(12)O(3), each of the five-membered rings in the inden-1-one and 1,3-benzodioxole residues is almost planar (r.m.s. deviations = 0.041 and 0.033 Å, respectively). A small twist about the single bond linking the two residues is evident [the C-C-C-C torsion angle = 8.7 (4)°]. Supra-molecular zigzag layers propagating in the ac plane are formed in the crystal via C-H⋯O inter-actions. The layers are linked via π-π inter-actions between the five- and six-membered rings of 1,3-benzodioxole residues [centroid-centroid distance = 3.4977 (14) Å].

| S-EPMC3343980 | biostudies-literature

(1E,2E)-1,2-Bis(2,3-dihydro-1H-inden-1-yl-idene)hydrazine.

Project description:In the title compound, C(18)H(16)N(2), there are two independent half-mol-ecules (A and B) in the asymmetric unit, each mol-ecule being completed by an inversion center situated in the mid-point of the central N-N bond. The mol-ecules themselves therefore are essentially planar with r.m.s. deviations of 0.015 (1) and 0.020 (1) Å, respectively. In the crystal, mol-ecules are connected via C-H⋯π inter-actions in which only type B mol-ecules are donors, while both A and B mol-ecules act as acceptors. As a result, type B mol-ecules are linked into infinite chains along b, which are inter-connected by molecules of type A.

| S-EPMC3435753 | biostudies-literature

(2E)-2-(4-Bromo-benzyl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:The title indan-1-one derivative, C(16)H(11)BrO, is planar, the r.m.s. deviation for all 18 non-H atoms being 0.071?Å. The configuration about the C=C bond [1.337?(5)?Å] is E. In the crystal, supra-molecular layers in the ab plane are formed by C-H?O inter-actions, involving the bifurcated carbonyl O atom, as well as C-H?? inter-actions. The studied crystal was an inversion twin.

| S-EPMC3295522 | biostudies-literature

2-(Di-phenyl-methyl-idene)-2,3-di-hydro-1H-inden-1-one.

Project description:In the title mol-ecule, C22H16O, the indanone ring system is approximately planar with a dihedral angle between the fused rings of 5.13 (14)°. Two benzene rings are linked together at one side of a double bond, sitting on either side of the indanone ring system and making dihedral angles of 70.30 (12) and 44.74 (13)° with it. In the crystal, hydrogen bonding is not present, but weak C-H⋯π or π-π inter-actions occur and mol-ecules form a sheet-like structure in the bc plane.

| S-EPMC3793795 | biostudies-literature

(E)-2-[4-(Trifluoro-meth-yl)benzyl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:In the title mol-ecule, C(17)H(11)F(3)O, the indan ring system and the trifluoro-methyl-substituted benzene ring are approximately individually planar and form a dihedral angle of 1.81?(5)° with each other. In the crystal, mol-ecules are linked by pairs of weak bifurcated (C-H)(2)?O hydrogen bonds to form centrosymmetric dimers, generating R(2) (1)(6) and R(2) (2)(10) ring motifs. These dimers are connected by further weak C-H?O hydrogen bonds into one-dimensional chains along the b axis. Weak C-H?? inter-actions are also present.

| S-EPMC3275283 | biostudies-literature

(E)-2-[4-(Piperidin-1-yl)benzyl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(21)H(21)NO, the indene ring system is essentially planar with a maximum deviation of 0.066?(1)?Å and makes dihedral angles of 7.93?(6) and 2.43?(6)°, respectively, with the benzene plane and the mean plane of the piperidine ring. These latter two planes make a dihedral angle of 7.61?(7)°. In the crystal, mol-ecules are linked by C-H?O inter-actions, forming infinite chains along the b axis.

| S-EPMC3009073 | biostudies-literature

(E)-2-(3-Chloro-benzyl-idene)-5,6-dimeth-oxy-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(18)H(15)ClO(3), the dihydro-indenone group makes a dihedral angle of 8.56 (6)° with the bezene ring. In the crystal, the mol-ecules are inter-connected into a three-dimensional network via inter-molecular C-H⋯O hydrogen bonds. Weak C-H⋯π and π⋯π [centroid-centroid distances 3.6598 (9)-3.6913 (9) Å] inter-actions are also observed.

| S-EPMC3008978 | biostudies-literature

(E)-5,6-Dimeth-oxy-2-(pyridin-4-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one.

Project description:The mol-ecule of the title compound, C(17)H(15)NO(3), is slightly twisted, with a dihedral angle of 12.12?(3)° between the dihydro-indenone group and the pyridine ring. In the crystal, mol-ecules are connected into layers parallel to the ab plane via inter-molecular C-H?O hydrogen bonds. Weak ?-? [centroid-centroid distance = 3.5680?(6)?Å] inter-actions are also observed.

| S-EPMC3009365 | 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