The title compound, C 12 H 14 O 4 , was prepared from the condensation reaction of 3,4-dihydroxybenzaldehyde, Meldrum's acid and propan-1-ol. The acyclic double bond is E configured. Intra-and intermolecular hydrogen bonds stabilize the molecular conformation and the crystal structure.
Prop-2-ynyl 3-(3,4-dihydroxyphenyl)prop-2-enoate monohydrate
✍ Scribed by Xia, Chun-Nian ;Zhou, Wei ;Hu, Wei-Xiao
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 132 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Crystals of the title compound, C 12 H 10 O 4 ÁH 2 O, were obtained from the Knoevenagel condensation reaction of 3,4-dihydroxybenzaldehyde and monoprop-2-ynyl malonate. The almost planar molecule is the E isomer. There are intermolecular O-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds andinteractions, which contribute to the formation of the crystal structure.
📜 SIMILAR VOLUMES
The molecule of the title compound, C 13 H 16 O 4 , adopts an E configuration, the carboxyl group and benzene ring being located on opposite sides of the C C bond. Intermolecular O-HÁ Á ÁO hydrogen bonding helps to stabilize the crystal structure.
In the title compound, C 15 H 7 F 5 O 2 , an intramolecular C-HÁ Á ÁO hydrogen bond induces coplanarity of the central chain and the phenyl ring. An intermolecular C-HÁ Á ÁO hydrogen bond leads to the formation of a dimer.