Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate

The title compound, C(20)H(20)Br(2)N(4)O(7), is an inter­mediate for mol­ecular clips. The seven- and six-membered rings have chair conformations, while the five-membered rings adopt envelope conformations. In the crystal structure, weak C—H⋯O and C—H⋯Br inter­actions link the mol­ecules into a thre...

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Detalles Bibliográficos
Autores principales: Chen, Yan, She, Nengfang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969905/
https://www.ncbi.nlm.nih.gov/pubmed/21577649
http://dx.doi.org/10.1107/S160053680903284X
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author Chen, Yan
She, Nengfang
author_facet Chen, Yan
She, Nengfang
author_sort Chen, Yan
collection PubMed
description The title compound, C(20)H(20)Br(2)N(4)O(7), is an inter­mediate for mol­ecular clips. The seven- and six-membered rings have chair conformations, while the five-membered rings adopt envelope conformations. In the crystal structure, weak C—H⋯O and C—H⋯Br inter­actions link the mol­ecules into a three-dimensional network. The eth­oxy and ethyl groups are disordered over two orientations, with occupancy ratios of 0.735 (16):0.265 (16) and 0.51 (2):0.49 (2), respectively.
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spelling pubmed-29699052010-12-30 Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate Chen, Yan She, Nengfang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(20)H(20)Br(2)N(4)O(7), is an inter­mediate for mol­ecular clips. The seven- and six-membered rings have chair conformations, while the five-membered rings adopt envelope conformations. In the crystal structure, weak C—H⋯O and C—H⋯Br inter­actions link the mol­ecules into a three-dimensional network. The eth­oxy and ethyl groups are disordered over two orientations, with occupancy ratios of 0.735 (16):0.265 (16) and 0.51 (2):0.49 (2), respectively. International Union of Crystallography 2009-08-26 /pmc/articles/PMC2969905/ /pubmed/21577649 http://dx.doi.org/10.1107/S160053680903284X Text en © Chen and She 2009 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
Chen, Yan
She, Nengfang
Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
title Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
title_full Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
title_fullStr Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
title_full_unstemmed Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
title_short Diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5H,10H-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
title_sort diethyl 7,8-dibromo-4,11-dioxo-11b,11c-dihydro-5h,10h-2-oxa-3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7,7a-ija]azulene-11b,11c-dicarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969905/
https://www.ncbi.nlm.nih.gov/pubmed/21577649
http://dx.doi.org/10.1107/S160053680903284X
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AT shenengfang diethyl78dibromo411dioxo11b11cdihydro5h10h2oxa3a4a10a11atetraazabenzfindeno2177aijaazulene11b11cdicarboxylate

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