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
Pentafluorophenyl 3-phenylprop-2-enoate
✍ Scribed by Andrade, L.C.R. ;Paixão, J. A. ;de Almeida, M.J.M. ;Tavares da Silva, E. J. ;Fernandes Roleira, F. M.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 131 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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.
📜 SIMILAR VOLUMES
The title compound, C 29 H 26 N 2 OP, containing four planar ring systems, exists in the Z form. The short CÁ Á ÁO [2.711 (3) A Ê ] and CÁ Á ÁN [2.961 (3) and 2.997 (3) A Ê ] intramolecular contacts may indicate the presence of weak intramolecular hydrogen bonds.
Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.003 A Ê R factor = 0.044 wR factor = 0.116 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Crystals of the title compound, (C 6 F 5 ) 3 P O or C 18 H 15 OP, have two independent molecules in the asymmetric unit, with average P O and PÐC bond lengths of 1.467 (2) and 1.817 (2) A Ê , respectively, and an average O PÐC angle of 112.9 (1) .
Single-crystal X-ray study T = 298 K Mean (C-C) = 0.005 A R factor = 0.056 wR factor = 0.161 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 12 H 5 Br 5 O, belongs to a group of ¯ame retardants known as polybrominated diphenyl ethers (PBDE). Salient features of the packing are stabilization due to intermolecular BrÁ Á ÁBr contacts in the ab plane and aromatic intermolecular contacts along the c direction.