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3,6-二碘咔唑-9-羧酸丁酯的晶体结构。

Crystal structure of -butyl 3,6-di-iodo-carbazole-9-carboxyl-ate.

作者信息

Sielaff Elizabeth N, Staples Richard J, Biros Shannon M

机构信息

Department of Chemistry, Grand Valley State University, Allendale, MI 49401, USA.

Center for Crystallographic Research, Department of Chemistry and Chemical Biology, Michigan State University, East Lansing, MI 48824, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Mar 15;79(Pt 4):345-348. doi: 10.1107/S205698902300230X. eCollection 2023 Mar 1.

DOI:10.1107/S205698902300230X
PMID:37057017
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10088305/
Abstract

The mol-ecular structure of -butyl 3,6-di-iodo-carbazole-9-carboxyl-ate, CHINO, features a nearly planar 13-membered carbazole ring with C-I bond lengths of 2.092 (4) and 2.104 (4) Å. The carbamate group has key bond lengths of 1.404 (6) Å (N-C), 1.330 (5) Å (O-C), and 1.201 (6) Å (C=O). The crystal contains inter-molecular π-π inter-actions, as well as both type I and type II inter-molecular I⋯I inter-actions.

摘要

3,6-二碘咔唑-9-羧酸丁酯（CHINO）的分子结构具有一个近乎平面的13元咔唑环，C-I键长分别为2.092 (4) 和2.104 (4) Å。氨基甲酸酯基团的关键键长分别为1.404 (6) Å（N-C）、1.330 (5) Å（O-C）和1.201 (6) Å（C=O）。该晶体包含分子间π-π相互作用以及I型和II型分子间I⋯I相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/6bbc6f9a9c18/e-79-00345-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/e35a28f037d9/e-79-00345-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/8b4c1241d75c/e-79-00345-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/89274350eec3/e-79-00345-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/6bbc6f9a9c18/e-79-00345-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/e35a28f037d9/e-79-00345-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/8b4c1241d75c/e-79-00345-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/89274350eec3/e-79-00345-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6e9f/10088305/6bbc6f9a9c18/e-79-00345-fig4.jpg

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本文引用的文献

1
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Spectrochim Acta A Mol Biomol Spectrosc. 2023 Apr 5;290:122280. doi: 10.1016/j.saa.2022.122280. Epub 2022 Dec 26.
2
Carbazole-Functionalized Dipicolinato Ln Complexes Show Two-Photon Excitation and Viscosity-Sensitive Metal-Centered Emission.咔唑功能化的二吡啶甲酸镧系配合物表现出双光子激发和对粘度敏感的金属中心发射。
J Lumin. 2022 May;245. doi: 10.1016/j.jlumin.2022.118768. Epub 2022 Feb 4.
3
Luminescent Carbazole-Based Eu and Yb Complexes with a High Two-Photon Absorption Cross-Section Enable Viscosity Sensing in the Visible and Near IR with One- and Two-Photon Excitation.
具有高双光子吸收截面的咔唑基铕和镱配合物可通过单光子和双光子激发在可见光和近红外区域实现粘度传感。
Inorg Chem. 2020 Mar 2;59(5):3193-3199. doi: 10.1021/acs.inorgchem.9b03561. Epub 2020 Feb 13.
4
Small molecule regulated dynamic structural changes of human G-quadruplexes.小分子调控人源G-四链体的动态结构变化。
Chem Sci. 2016 May 1;7(5):3279-3285. doi: 10.1039/c6sc00057f. Epub 2016 Feb 12.
5
σ-Complexation as a strategy for designing copper-based light emitters.σ-络合作用作为设计铜基发光体的一种策略。
Chem Commun (Camb). 2017 Mar 2;53(19):2858-2861. doi: 10.1039/c6cc10139a.
6
Estimating the Donor-Acceptor Distance To Tune the Emission Efficiency of Luminescent Lanthanide Compounds.估算供体-受体距离以调节发光镧系化合物的发射效率。
Inorg Chem. 2017 Jan 17;56(2):709-712. doi: 10.1021/acs.inorgchem.6b02637. Epub 2016 Dec 22.
7
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
8
The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment - Olex2 dissected.面向现代计算环境的综合约束、受限精修程序剖析——解析Olex2
Acta Crystallogr A Found Adv. 2015 Jan;71(Pt 1):59-75. doi: 10.1107/S2053273314022207. Epub 2015 Jan 1.
9
Highly efficient organic light-emitting diodes from delayed fluorescence.高效有机发光二极管的延迟荧光。
Nature. 2012 Dec 13;492(7428):234-8. doi: 10.1038/nature11687.
10
3,6-Diiodo-9H-carbazole.3,6-二碘-9H-咔唑
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1242. doi: 10.1107/S1600536812012901. Epub 2012 Mar 31.