MOLECULAR RECOGNITION VIA C-H...O HYDROGEN-BONDING - CRYSTAL-STRUCTURE OF THE 1/1 COMPLEX 4-NITROBENZOIC ACID 4-(N,N-DIMETHYLAMINO)BENZOIC ACID

被引：44

作者：

SHARMA, CVK

PANNEERSELVAM, K

PILATI, T

DESIRAJU, GR

机构：

[1] UNIV HYDERABAD,SCH CHEM,PO CENT UNIV,HYDERABAD 500134,ANDHRA PRADESH,INDIA

[2] UNIV MILAN,DIPARTIMENTO CHIM FIS & ELETTROCHIM,I-20122 MILAN,ITALY

[3] UNIV MILAN,CTR CNR,I-20122 MILAN,ITALY

来源：

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS | 1992年 / 11期

关键词：

D O I：

10.1039/c39920000832

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Mutual recognition of the nitro and dimethylamino substituent groups is possible in organic crystals through the formation of a cyclic C-H...O hydrogen bonded dimer with an approximate stabilising energy of -2.45 kcal mol-1 (1 cal = 4.184 J).

引用

页码：832 / 833

页数：2

共 14 条

[1] CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTER - COMPUTER-BASED SEARCH, RETRIEVAL, ANALYSIS AND DISPLAY OF INFORMATION [J].

ALLEN, FH ;

BELLARD, S ;

BRICE, MD ;

CARTWRIGHT, BA ;

DOUBLEDAY, A ;

HIGGS, H ;

HUMMELINK, T ;

HUMMELINKPETERS, BG ;

KENNARD, O ;

MOTHERWELL, WDS ;

RODGERS, JR ;

WATSON, DG .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (OCT) :2331-2339

[2] AM1 STUDY OF HYDROGEN-BONDED MIXED DIMERS OF SUBSTITUTED BENZOIC-ACIDS [J].

DANNENBERG, JJ .

CHEMISTRY OF MATERIALS, 1990, 2 (06) :635-636

[3] THE C-H...O HYDROGEN-BOND IN CRYSTALS - WHAT IS IT [J].

DESIRAJU, GR .

ACCOUNTS OF CHEMICAL RESEARCH, 1991, 24 (10) :290-296

[4] C-H ... O HYDROGEN-BONDING AND TOPOCHEMISTRY IN CRYSTALLINE 3,5-DINITROCINNAMIC ACID AND ITS 1-1 DONOR-ACCEPTOR COMPLEX WITH 2,5-DIMETHOXYCINNAMIC ACID [J].

DESIRAJU, GR ;

SHARMA, CVKM .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1991, (18) :1239-1241

[5]

DESIRAJU GR, 1909, CRYSTAL ENG DESIGN O

[6] THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].

DEWAR, MJS ;

ZOEBISCH, EG ;

HEALY, EF ;

STEWART, JJP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909

[7] Hydrogen-Bond Directed Cocrystallization as a Tool for Designing Acentric Organic Solids [J].

Etter, Margaret C. ;

Frankenbach, Gayle M. .

CHEMISTRY OF MATERIALS, 1989, 1 (01) :10-12

[8] THE MALONALDEHYDE EQUILIBRIUM GEOMETRY - A MAJOR STRUCTURAL SHIFT DUE TO THE EFFECTS OF ELECTRON CORRELATION [J].

FRISCH, MJ ;

SCHEINER, AC ;

SCHAEFER, HF ;

BINKLEY, JS .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (09) :4194-4198

[9] EVIDENCE FOR RESONANCE-ASSISTED HYDROGEN-BONDING FROM CRYSTAL-STRUCTURE CORRELATIONS ON THE ENOL FORM OF THE BETA-DIKETONE FRAGMENT [J].

GILLI, G ;

BELLUCCI, F ;

FERRETTI, V ;

BERTOLASI, V .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (03) :1023-1028

[10] PERSPECTIVES IN SUPRAMOLECULAR CHEMISTRY - FROM MOLECULAR RECOGNITION TOWARDS MOLECULAR INFORMATION-PROCESSING AND SELF-ORGANIZATION [J].

LEHN, JM .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1990, 29 (11) :1304-1319

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