Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol

The title compound, C13H22N2O, crystallized as a pyrazolol tautomer. The 12-membered macrocycle has a distorted chair conformation. In the crystal, molecules are linked via pairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linked via N—H...π and C—H...π interactions, forming...

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Main Authors:	Casey C. Raymond, Michael A. Knopp
Format:	Article
Language:	English
Published:	International Union of Crystallography 2015-10-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure pyrazolol tautomer pyrazolone macrocycle O—H...N hydrogen bond N—H...π interaction
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989015016746

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spelling	doaj-b1c8a0b252484493824aeb86e53d853d2020-11-24T22:43:45ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-10-017110o752o75310.1107/S2056989015016746su5204Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-olCasey C. Raymond0Michael A. Knopp1Department of Chemistry, 296 Shineman Center, SUNY Oswego, Oswego, NY 13126, USAEnvironmental Science and Sustainability Department, 307 South Hall, 181 Main St., University of Maine at Presque Isle, Presque Isle, Maine 04769, USAThe title compound, C13H22N2O, crystallized as a pyrazolol tautomer. The 12-membered macrocycle has a distorted chair conformation. In the crystal, molecules are linked via pairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linked via N—H...π and C—H...π interactions, forming slabs parallel to the bc plane.http://scripts.iucr.org/cgi-bin/paper?S2056989015016746crystal structurepyrazololtautomerpyrazolonemacrocycleO—H...N hydrogen bondN—H...π interaction
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Casey C. Raymond Michael A. Knopp
spellingShingle	Casey C. Raymond Michael A. Knopp Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol Acta Crystallographica Section E: Crystallographic Communications crystal structure pyrazolol tautomer pyrazolone macrocycle O—H...N hydrogen bond N—H...π interaction
author_facet	Casey C. Raymond Michael A. Knopp
author_sort	Casey C. Raymond
title	Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol
title_short	Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol
title_full	Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol
title_fullStr	Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol
title_full_unstemmed	Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol
title_sort	crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2015-10-01
description	The title compound, C13H22N2O, crystallized as a pyrazolol tautomer. The 12-membered macrocycle has a distorted chair conformation. In the crystal, molecules are linked via pairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are linked via N—H...π and C—H...π interactions, forming slabs parallel to the bc plane.
topic	crystal structure pyrazolol tautomer pyrazolone macrocycle O—H...N hydrogen bond N—H...π interaction
url	http://scripts.iucr.org/cgi-bin/paper?S2056989015016746
work_keys_str_mv	AT caseycraymond crystalstructureof145678910111213undecahydrocyclododecacpyrazol3ol AT michaelaknopp crystalstructureof145678910111213undecahydrocyclododecacpyrazol3ol
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Crystal structure of 1,4,5,6,7,8,9,10,11,12,13-undecahydrocyclododeca[c]pyrazol-3-ol

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