THE X-RAY CRYSTAL AND MOLECULAR-STRUCTURE OF 3,5-DI-TERT-BUTYLPYRAZOLE HYDROCHLORIDE AT 200 K

被引：31

作者：

FERNANDEZCASTANO, C

FOCESFOCES, C

JAGEROVIC, N

ELGUERO, J

机构：

[1] CSIC,INST QUIM MED,E-28006 MADRID,SPAIN

[2] CSIC,INST QUIM FIS ROCASOLANO,E-28006 MADRID,SPAIN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1995年 / 355卷 / 03期

关键词：

D O I：

10.1016/0022-2860(95)08915-I

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The title compound 1H, 2H-3,5-di-tert-butylpyrazolium chloride (2) was prepared by reacting 1H-3,5-di-tert-butylpyrazole (1) with hydrochloric acid in methanol. The molecules of 2 are arranged in the crystal in dimers bridged by the chlorine ion through strong and quite linear hydrogen bonds. Several surveys were performed via the Cambridge Structural Database searching for N+(sp(2)) - H...Cl- interactions and for pseudo-rings in which two chlorine ions were hydrogen bonded by two water molecules, both hydrogen atoms of each molecule being involved in the contacts.

引用

页码：265 / 271

页数：7

共 21 条

[1] OBSERVATION OF A SERIES OF DEGENERATE CYCLIC DOUBLE, TRIPLE, AND QUADRUPLE PROTON TRANSFERS IN SOLID PYRAZOLES [J].

AGUILARPARRILLA, F ;

SCHERER, G ;

LIMBACH, HH ;

FOCESFOCES, MDC ;

CANO, FH ;

SMITH, JAS ;

TOIRON, C ;

ELGUERO, J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (24) :9657-9659

[2] N-15 NMR CHEMICAL-SHIFTS OF NH-PYRAZOLES IN THE SOLID-STATE AND IN SOLUTION AT LOW-TEMPERATURE [J].

AGUILARPARRILLA, F ;

MANNLE, F ;

LIMBACH, HH ;

ELGUERO, J ;

JAGEROVIC, N .

MAGNETIC RESONANCE IN CHEMISTRY, 1994, 32 (11) :699-702

[3]

AGUILARPARRILLA F, UNPUB

[4] THE DEVELOPMENT OF VERSION-3 AND VERSION-4 OF THE CAMBRIDGE STRUCTURAL DATABASE SYSTEM [J].

ALLEN, FH ;

DAVIES, JE ;

GALLOY, JJ ;

JOHNSON, O ;

KENNARD, O ;

MACRAE, CF ;

MITCHELL, EM ;

MITCHELL, GF ;

SMITH, JM ;

WATSON, DG .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (02) :187-204

[5]

[Anonymous], 1974, INT TABLES XRAY CRYS, VIV

[6]

CANO FH, 1992, J MOL STRUC-THEOCHEM, V258, P139

[7]

CANO FH, 1994, J HETEROCYCLIC CHEM, V31, P695

[8] N-15-NMR SPECTROSCOPY .10. N-15-NMR SPECTRA OF AZOLES WITH 2 HETEROATOMS [J].

CHEN, BC ;

VONPHILIPSBORN, W ;

NAGARAJAN, K .

HELVETICA CHIMICA ACTA, 1983, 66 (05) :1537-1555

[9] N-AMINOAZOLES .2. BASICITY AND PROTONATION SITE OF N-AMINOAZOLES - AN EXPERIMENTAL (PK(A), C-13 AND N-15 NMR-SPECTROSCOPY AND CRYSTALLOGRAPHY) AND THEORETICAL-STUDY [J].

CLARAMUNT, RM ;

SANZ, D ;

CATALAN, J ;

FABERO, F ;

GARCIA, NA ;

FOCESFOCES, C ;

LLAMASSAIZ, AL ;

ELGUERO, J .

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1993, (09) :1687-1699

[10]

DELACRUZ A, 1993, J CHEM SOC P1, V1, P845

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