Crystal structure of 1,4,5,6,7,8,9,10,11,1 2,13-undecahydrocyclododeca[c]pyrazol-3-ol

被引:0
作者
Raymond, Casey C. [1 ]
Knopp, Michael A. [2 ]
机构
[1] SUNY Coll Oswego, Dept Chem, 296 Shineman Ctr, Oswego, NY 13126 USA
[2] Univ Maine, Environm Sci & Sustainabil Dept, Presque Isle, ME 04769 USA
关键词
crystal structure; pyrazolol; tautomer; pyrazolone; macrocycle; O-H center dot center dot center dot N hydrogen bond; N-H center dot center dot center dot pi interaction;
D O I
10.1107/S2056989015016746
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
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 center dot center dot center dot N hydrogen bonds, forming inversion dimers. The dimers are linked via N-H center dot center dot center dot pi and C-H center dot center dot center dot pi interactions, forming slabs parallel to the be plane.
引用
收藏
页码:O752 / U387
页数:8
相关论文
共 7 条
[1]  
Bruker, 2007, APEX2 SAINT SADABS
[2]   Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures [J].
Macrae, Clare F. ;
Bruno, Ian J. ;
Chisholm, James A. ;
Edgington, Paul R. ;
McCabe, Patrick ;
Pidcock, Elna ;
Rodriguez-Monge, Lucia ;
Taylor, Robin ;
van de Streek, Jacco ;
Wood, Peter A. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 :466-470
[3]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[4]  
Sheldrick GM, 2015, ACTA CRYSTALLOGR C, V71, P3, DOI [10.1107/S2053229614024218, 10.1107/S0108767307043930]
[5]   SYNTHESIS OF MEDIUM-RING CYCLOALKENE-1-CARBOXYLIC ACIDS AND THERMODYNAMIC PROPERTIES OF CYCLOUNDECENE-1-CARBOXYLIC ACID SYSTEM [J].
SILVEIRA, A ;
MEHRA, YR ;
ATWELL, WA .
JOURNAL OF ORGANIC CHEMISTRY, 1977, 42 (24) :3892-3895
[6]   A NEW SYNTHESIS OF CYCLIC ALLENIC ESTERS [J].
SILVEIRA, A ;
ANGELASTRO, M ;
ISRAEL, R ;
TOTINO, F ;
WILLIAMSEN, P .
JOURNAL OF ORGANIC CHEMISTRY, 1980, 45 (17) :3522-3523
[7]  
Wiley R. H., 1964, CHEM HETEROCYCLIC CO, P5