Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone

In the title compound, C16H20O4, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intramolecular O—H...O hydrogen bond is observed in the guaiacol residue. In the crystal, molecules are assembled into a sheet...

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Main Authors:	Agnese Stikute, Karina Skestere, Inese Mierina, Anatoly Mishnev, Mara Jure
Format:	Article
Language:	English
Published:	International Union of Crystallography 2018-06-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure arylmethyl dimedone arylmethyl 1,3-cyclohexanedione arylmethyl 3-hydroxycyclohex-2-enone
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989018006941

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record_format	Article
spelling	doaj-c2063e93f228472fb2a0ad0f11fab8982020-11-25T00:11:38ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-06-0174679679810.1107/S2056989018006941is5495Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enoneAgnese Stikute0Karina Skestere1Inese Mierina2Anatoly Mishnev3Mara Jure4Institute of Technology of Organic Chemistry, Faculty of Materials Science and Applied Chemistry, Riga Technical University, P. Valdena Str. 3/7, Riga, LV-1048, LatviaInstitute of Technology of Organic Chemistry, Faculty of Materials Science and Applied Chemistry, Riga Technical University, P. Valdena Str. 3/7, Riga, LV-1048, LatviaInstitute of Technology of Organic Chemistry, Faculty of Materials Science and Applied Chemistry, Riga Technical University, P. Valdena Str. 3/7, Riga, LV-1048, LatviaLatvian Institute of Organic Synthesis, Aizkraukles Str. 21, Riga, LV-1006, LatviaInstitute of Technology of Organic Chemistry, Faculty of Materials Science and Applied Chemistry, Riga Technical University, P. Valdena Str. 3/7, Riga, LV-1048, LatviaIn the title compound, C16H20O4, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intramolecular O—H...O hydrogen bond is observed in the guaiacol residue. In the crystal, molecules are assembled into a sheet structure parallel to the ab plane via O—H...O hydrogen bonds. The hydrogen-bond pattern is described by an R44(28) graph-set motif. The sheets are further linked by C—H...O hydrogen bonds into a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2056989018006941crystal structurearylmethyl dimedonearylmethyl 1,3-cyclohexanedionearylmethyl 3-hydroxycyclohex-2-enone
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Agnese Stikute Karina Skestere Inese Mierina Anatoly Mishnev Mara Jure
spellingShingle	Agnese Stikute Karina Skestere Inese Mierina Anatoly Mishnev Mara Jure Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone Acta Crystallographica Section E: Crystallographic Communications crystal structure arylmethyl dimedone arylmethyl 1,3-cyclohexanedione arylmethyl 3-hydroxycyclohex-2-enone
author_facet	Agnese Stikute Karina Skestere Inese Mierina Anatoly Mishnev Mara Jure
author_sort	Agnese Stikute
title	Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
title_short	Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
title_full	Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
title_fullStr	Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
title_full_unstemmed	Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
title_sort	crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2018-06-01
description	In the title compound, C16H20O4, a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intramolecular O—H...O hydrogen bond is observed in the guaiacol residue. In the crystal, molecules are assembled into a sheet structure parallel to the ab plane via O—H...O hydrogen bonds. The hydrogen-bond pattern is described by an R44(28) graph-set motif. The sheets are further linked by C—H...O hydrogen bonds into a three-dimensional network.
topic	crystal structure arylmethyl dimedone arylmethyl 1,3-cyclohexanedione arylmethyl 3-hydroxycyclohex-2-enone
url	http://scripts.iucr.org/cgi-bin/paper?S2056989018006941
work_keys_str_mv	AT agnesestikute crystalstructureof3hydroxy24hydroxy3methoxyphenylmethyl55dimethylcyclohex2enone AT karinaskestere crystalstructureof3hydroxy24hydroxy3methoxyphenylmethyl55dimethylcyclohex2enone AT inesemierina crystalstructureof3hydroxy24hydroxy3methoxyphenylmethyl55dimethylcyclohex2enone AT anatolymishnev crystalstructureof3hydroxy24hydroxy3methoxyphenylmethyl55dimethylcyclohex2enone AT marajure crystalstructureof3hydroxy24hydroxy3methoxyphenylmethyl55dimethylcyclohex2enone
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Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone

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