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3,3'-({4-[(4,5-二氰基-1H-咪唑-2-基)重氮基]苯基}亚氨基)二丙酸

3,3'-({4-[(4,5-Di-cyano-1H-imidazol-2-yl)diazen-yl]phen-yl}imino)-dipropionic acid.

作者信息

Centore Roberto, Piccialli Vincenzo, Tuzi Angela

机构信息

Dipartimento di Scienze Chimiche, Università degli Studi di Napoli 'Federico II', Complesso di Monte S. Angelo, Via Cinthia, 80126 Napoli, Italy.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o802-3. doi: 10.1107/S1600536813011185. Print 2013 May 1.

DOI:10.1107/S1600536813011185
PMID:23723943
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648323/
Abstract

The title compound, C17H15N7O4, is a push-pull non-linear optical chromophore containing a di-alkyl-amino donor group and the di-cyano-imidazolyl acceptor separated by a π-conjugated path. The benzene and imidazole rings are not coplanar, making a dihedral angle of 10.0 (2)°. In the crystal, mol-ecules are linked by an extended set of hydrogen bonds and several motifs are recognized. Pairs of mol-ecules are held together by hydrogen bonding between carb-oxy O-H donor groups and diazenyl N-atom acceptors, forming R 2 (2)(24) ring patterns across inversion centres. Four-mol-ecule R 4 (4)(28) ring motifs are formed, again across inversion centres, through hydrogen bonding involving carb-oxy O-H donor groups and diazenyl and imidazole N-atom acceptors. Four-mol-ecule R 4 (4)(42) patterns are formed among mol-ecules related by translation and involve carb-oxy O-H and imidazole N-H donor groups with carbonyl O-atom and imidazole N-atom acceptors.

摘要

标题化合物C17H15N7O4是一种推拉型非线性光学发色团，含有一个二烷基氨基供体基团和一个通过π共轭路径隔开的二氰基咪唑基受体。苯环和咪唑环不共面，二面角为10.0 (2)°。在晶体中，分子通过一系列广泛的氢键相连，并识别出几种结构基元。分子对通过羧基O-H供体基团与重氮基N原子受体之间的氢键结合在一起，在反演中心形成R2(2)(24)环模式。通过涉及羧基O-H供体基团与重氮基和咪唑N原子受体的氢键，再次在反演中心形成四分子R4(4)(28)环结构基元。在通过平移相关的分子之间形成四分子R4(4)(42)模式，涉及羧基O-H和咪唑N-H供体基团与羰基O原子和咪唑N原子受体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7d/3648323/241ce377bcf2/e-69-0o802-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7d/3648323/27c4f0d65a88/e-69-0o802-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7d/3648323/241ce377bcf2/e-69-0o802-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7d/3648323/27c4f0d65a88/e-69-0o802-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ab7d/3648323/241ce377bcf2/e-69-0o802-fig2.jpg

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