X-ray crystallographic analysis of the NH form of a salicylideneaniline at 15 K

被引：51

作者：

Ogawa, K ^{[1
]}

Harada, J

Tamura, I

Noda, Y

机构：

[1] Univ Tokyo, Grad Sch Arts & Sci, Dept Chem, Tokyo 1538902, Japan

[2] Inst Mol Sci, Okazaki, Aichi 4448585, Japan

[3] Tohoku Univ, Sci Measurements Res Inst, Sendai, Miyagi 9808577, Japan

来源：

CHEMISTRY LETTERS | 2000年 / 05期

关键词：

D O I：

10.1246/cl.2000.528

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structure of the NH form of a salicylideneaniline was determined by X-ray crystallographic analysis of N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline at 15 K. Comparison of the X-ray structure with the structure obtained from quantum mechanical calculations using density functional theory revealed that the NH form is predominantly zwitterionic in crystals and predominantly quinoidal in gas phase.

引用

页码：528 / 529

页数：2

共 23 条

[1]

Allen F.H., 1995, INT TABLES CRYSTALLO, VC, P685

[2] TOPOCHEMISTRY .9. CRYSTAL + MOLECULAR STRUCTURES OF N-5-CHLOROSALICYLIDENEANILINE NEAR 90 + 300DEGREESK [J].

BREGMAN, J ;

SCHMIDT, GMJ ;

LEISEROW.L .

JOURNAL OF THE CHEMICAL SOCIETY, 1964, (JUN) :2068-&

[3] PHOTOCHROMY AND THERMOCHROMY OF ANILS [J].

COHEN, MD ;

SCHMIDT, GMJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) :2442-&

[4] FEMTOSECOND MOLECULAR-DYNAMICS OF TAUTOMERIZATION IN MODEL BASE-PAIRS [J].

DOUHAL, A ;

KIM, SK ;

ZEWAIL, AH .

NATURE, 1995, 378 (6554) :260-263

[5] PHOTOCHROMISM DEPENDENT ON CRYSTAL PACKING - PHOTOINDUCED AND THERMAL PROTON-TRANSFER PROCESSES IN SINGLE-CRYSTALS OF 6-(2,4-DINITROBENZYL)-2,2'-BIPYRIDINE [J].

EICHEN, Y ;

LEHN, JM ;

SCHERL, M ;

HAARER, D ;

FISCHER, J ;

DECIAN, A ;

CORVAL, A ;

TROMMSDORFF, HP .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1995, 34 (22) :2530-2533

[6] Cooperative dynamics in duplexes of stacked hydrogen-bonded moieties [J].

Folmer, BJB ;

Sijbesma, RP ;

Kooijman, H ;

Spek, AL ;

Meijer, EW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (39) :9001-9007

[7] DNA MODELS - MUTATIONS CAUGHT IN THE ACT [J].

GOODMAN, MF .

NATURE, 1995, 378 (6554) :237-238

[8]

Hadjoudis E., 1995, MOL ENG, V5, P301, DOI DOI 10.1007/BF01004014

[9] X-ray analysis of structural changes in photochromic salicylideneaniline crystals. Solid-state reaction induced by two-photon excitation [J].

Harada, J ;

Uekusa, H ;

Ohashi, Y .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (24) :5809-5810

[10]

INABE T, 1991, NEW J CHEM, V15, P129

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