Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride

被引:1
|
作者
Giesen, Joseph A. [1 ]
Grayson, Scott M. [1 ]
Mague, Joel J. [1 ]
机构
[1] Tulane Univ, Dept Chem, New Orleans, LA 70118 USA
关键词
crystal structure; anhydride; hydrogen bond; dioxane; carboxylic acid; 2,2-BIS(HYDROXYMETHYL)PROPIONIC ACID; POLYESTERS; DENDRIMERS;
D O I
10.1107/S2056989019016670
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid, C8H14O4, the carboxyl group occupies an equatorial position on the 1,3-dioxane ring. In the crystal, O-H center dot center dot center dot O hydrogen bonds form chains of molecules, which are linked into a three-dimensional network by C-H center dot center dot center dot O hydrogen bonds. The asymmetric unit of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride, C16H26O7, consists of two independent molecules, which are linked by C-H center dot center dot center dot O hydrogen bonds. In the crystal, these units are connected into corrugated layers two molecules thick and parallel to the ab plane by additional C-HO hydrogen bonds.
引用
收藏
页码:86 / +
页数:17
相关论文
共 50 条
  • [1] DFT Computation, Spectroscopic, Hirshfeld Surface, Docking and Topological Analysis on 2,2,5-Trimethyl-1,3-Dioxane-5-Carboxylic Acid as Potent Anti-Cancer Agent
    Kumar, J. Senthil
    Karthik, N.
    Sumathi, S.
    Jyothi, N. Siva
    Saranya, S.
    Jeyavijayan, S.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2024, 124 (21)
  • [2] Conformational analysis of 5-methyl- and 2,2,5-trimethyl-1,3-dithianes
    V. V. Kuznetsov
    Russian Journal of General Chemistry, 2012, 82 : 864 - 868
  • [3] Conformational analysis of 5-methyl- and 2,2,5-trimethyl-1,3-dithianes
    Kuznetsov, V. V.
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2012, 82 (05) : 864 - 868
  • [4] 2-(2-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
    Jia, Guo-Kai
    Yuan, Lin
    Zhang, Min
    Yuan, Xian-You
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O2037 - +
  • [5] SYNTHESIS OF 2,2,5-TRIMETHYL-5-PHENYLETHYNYL-1,4-DIOXANE
    KARAEV, SF
    TALYBOV, GM
    TUKHI, KR
    ZHURNAL ORGANICHESKOI KHIMII, 1993, 29 (02): : 421 - 422
  • [6] A SIMPLE SYNTHESIS OF ALL 4 STEREOISOMERS OF 2,2,5-TRIMETHYL-1,3-DIOXOLANE-4-CARBALDEHYDE
    BINDER, WH
    PRENNER, RH
    SCHMID, W
    MONATSHEFTE FUR CHEMIE, 1994, 125 (6-7): : 763 - 771
  • [7] SYNTHESIS OF 5,5-DI-(BENZOTRIAZOL-5-YLMETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE AND 5-(BENZOTRIAZOL-5-YLMETHYL)-2,2,5-TRIMETHYL-1,3-DIOXANE-4,6-DIONE
    KATRITZKY, AR
    JI, FB
    FAN, WQ
    SYNTHETIC COMMUNICATIONS, 1993, 23 (14) : 2019 - 2025
  • [8] Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C12H14O4
    Yuan, Xian-You
    Jia, Guo-Kai
    Zhang, Min
    Yuan, Lin
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2016, 231 (01): : 5 - 7
  • [9] Crystal structure of 2-(2-bromophenyl)-5-ethyl-1,3-dioxane-5-carboxylic acid, C13H15BrO4
    Yuan, Lin
    Yuan, Xian-You
    Li, Zhong-Yan
    Zhang, Min
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2016, 231 (04): : 1209 - 1210
  • [10] Crystal structure of 2-(2-bromophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13BrO4
    Jia, Guo-Kai
    Yuan, Lin
    Zhang, Min
    Yuan, Xian-You
    Liu, Fang
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2016, 231 (04): : 1207 - 1208