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ID 113986
Author
Ohmura, Satoshi D. Osaka University|Tokushima University KAKEN Search Researchers
Hirao, Toshikazu Osaka University
Moriuchi, Toshiyuki Osaka University|Osaka City University
Content Type
Journal Article
Description
The cocrystal structure of diethyl 2,5-bis{[4-(ethoxycarbonyl)phenyl]amino}terephthalate (PDA) and diethyl (3E,6E)-3,6-bis{[4-(ethoxycarbonyl)phenyl]amino}cyclohexa-1,4-diene-1,4-dicarboxylate (QDI) was determined by X-ray crystallography. The compound crystallizes in a triclinic system and was characterized thus: P-1, a = 8.6778(3)Å, b =13.0702(4)Å, c = 13.5152(4)Å, α = 79.1570(15)°, β = 71.8459(15)°, γ = 72.5962(16)°, Z = 1, V = 1382.28(7)Å3. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.078 and 0.190, respectively, for all 4179 independent reflections. In the crystal, a polymeric alternating arrangement of PDA and QDI exists through a network of π-π interactions, wherein both components adopt an anti-conformation of the π-conjugated backbones.
Journal Title
X-ray Structure Analysis Online
ISSN
18833578
Publisher
The Japan Society for Analytical Chemistry
Volume
35
Start Page
63
End Page
65
Published Date
2019-11-10
EDB ID
DOI (Published Version)
URL ( Publisher's Version )
FullText File
language
eng
TextVersion
Publisher
departments
Science and Technology