6533b852fe1ef96bd12ab7cd
RESEARCH PRODUCT
Methyl 3-(4-methoxyphenyl)prop-2-enoate
Maciej BujakJacek ZaleskiBoris UspenskiyVictor V. Prezhdosubject
chemistry.chemical_classificationDouble bondHydrogen bondStereochemistryEtherGeneral MedicineCrystal structureRing (chemistry)General Biochemistry Genetics and Molecular Biologychemistry.chemical_compoundCrystallographychemistryZigzagGroup (periodic table)Moleculedescription
The title molecule, C(11)H(12)O(3), is almost planar, with an average deviation of the C and O atoms from the least-squares plane of 0.146(4)A. The geometry about the C=C bond is trans. The phenyl ring and -COOCH(3) group are twisted with respect to the double bond by 9.3(3) and 5.6(5) degree, respectively. The endocyclic angle at the junction of the propenoate group and the phenyl ring is decreased from 120 degree by 2.6(2) degree, whereas two neighbouring angles around the ring are increased by 2.3(2) and 0.9(2) degree. This is probably associated with the charge-transfer interaction of the phenyl ring and -COOCH(3) group through the C=C double bond. The molecules are joined together through C-H...O hydrogen bonds between the methoxy and ester groups to form characteristic zigzag chains extended along the c axis.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-07-02 | Acta Crystallographica Section C-Crystal Structure Communications |