Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate

In the title mol­ecule, C(24)H(31)N(5)O(6), the two ethyl fragments are each disordered over two conformations [occupancy ratios 0.58 (13)/0.42 (13) and 0.56 (12)/0.44 (12)]. The crystal packing exhibits inter­molecular non-classical C—H⋯O hydrogen bonds and π–π inter­actions between benzene rings [...

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Detalles Bibliográficos
Autores principales: Zhu, Yanping, Sun, Yichong, Qiu, Mingqiang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979957/
https://www.ncbi.nlm.nih.gov/pubmed/21579724
http://dx.doi.org/10.1107/S1600536810000097
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author Zhu, Yanping
Sun, Yichong
Qiu, Mingqiang
author_facet Zhu, Yanping
Sun, Yichong
Qiu, Mingqiang
author_sort Zhu, Yanping
collection PubMed
description In the title mol­ecule, C(24)H(31)N(5)O(6), the two ethyl fragments are each disordered over two conformations [occupancy ratios 0.58 (13)/0.42 (13) and 0.56 (12)/0.44 (12)]. The crystal packing exhibits inter­molecular non-classical C—H⋯O hydrogen bonds and π–π inter­actions between benzene rings [centroid–centroid distances = 3.836 (5) Å].
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spelling pubmed-29799572010-12-30 Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate Zhu, Yanping Sun, Yichong Qiu, Mingqiang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(24)H(31)N(5)O(6), the two ethyl fragments are each disordered over two conformations [occupancy ratios 0.58 (13)/0.42 (13) and 0.56 (12)/0.44 (12)]. The crystal packing exhibits inter­molecular non-classical C—H⋯O hydrogen bonds and π–π inter­actions between benzene rings [centroid–centroid distances = 3.836 (5) Å]. International Union of Crystallography 2010-01-09 /pmc/articles/PMC2979957/ /pubmed/21579724 http://dx.doi.org/10.1107/S1600536810000097 Text en © Zhu et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Zhu, Yanping
Sun, Yichong
Qiu, Mingqiang
Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
title Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
title_full Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
title_fullStr Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
title_full_unstemmed Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
title_short Diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1H,5H,10H-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
title_sort diethyl 2-tert-butyl-4,11-dioxo-2,3-di­hydro-cis-1h,5h,10h-2,3a,4a,10a,11a-penta­azabenzo[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979957/
https://www.ncbi.nlm.nih.gov/pubmed/21579724
http://dx.doi.org/10.1107/S1600536810000097
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AT sunyichong diethyl2tertbutyl411dioxo23dihydrocis1h5h10h23a4a10a11apentaazabenzofindeno217ijaazulene11b11cdicarboxylate
AT qiumingqiang diethyl2tertbutyl411dioxo23dihydrocis1h5h10h23a4a10a11apentaazabenzofindeno217ijaazulene11b11cdicarboxylate

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