MONOCLINIC AND TRICLINIC TETRAISOPROPYL-P-PHENYLENEDIAMINE - TO WHAT EXTENT DO N(N)/PI INTERACTIONS DETERMINE STRUCTURES

被引:28
作者
BOCK, H
GOBEL, I
NATHER, C
HAVLAS, Z
GAVEZZOTTI, A
FILIPPINI, G
机构
[1] CZECHOSLOVAK ACAD SCI, INST ORGAN CHEM & BIOCHEM, CS-1160 PRAGUE, CZECHOSLOVAKIA
[2] UNIV MILAN, INST PHYS CHEM, I-20133 MILAN, ITALY
关键词
D O I
10.1002/anie.199317551
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Two conformations‐two crystal forms! This is the case for the title compound. The crystal of the conformer with nN/π interactions between the nitrogen lone pairs and the benzene π system (left) is monoclinic, whereas that of the conformer without this interaction (right) is triclinic. The dihedral angles ω (C2NC6) are 28 and 74°. According to potential energy surface calculations, the conformers have almost identical enthalpies of formation (ΔH fPM 3 = −46 and −47 kJmol−1). (Figure Presented.) Copyright © 1993 by VCH Verlagsgesellschaft mbH, Germany
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页码:1755 / 1758
页数:4
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