ID | 113986 |
Author |
Hirao, Toshikazu
Osaka University
Miyoshi, Norikazu
Tokushima University
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Moriuchi, Toshiyuki
Osaka University|Osaka City University
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Content Type |
Journal Article
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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.
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Journal Title |
X-ray Structure Analysis Online
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ISSN | 18833578
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Publisher | The Japan Society for Analytical Chemistry
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Volume | 35
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Start Page | 63
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End Page | 65
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Published Date | 2019-11-10
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DOI (Published Version) | |
URL ( Publisher's Version ) | |
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language |
eng
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TextVersion |
Publisher
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departments |
Science and Technology
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