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Diethyl 5,10-dihydro-6-phenyl­ethynyl-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a-tetra­aza­benz[f]­indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate

✍ Scribed by Chen, Yun-Feng ;Cui, Yan-Fang

Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
342 KB
Volume
62
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 28 H 26 N 4 O 7 , (I) crystallizes with two molecules in the asymmetric unit. It is a glycoluril derivative with five fused rings. A phenylethynyl-substituted benzene ring is fused to a seven-membered ring, which binds two of the N atoms from separate rings of the glycoluril system. The other two N atoms are each linked to an O atom by methylene groups, forming a six-membered ring. The crystal structure is stabilized by intermolecular C-HÁ Á ÁO hydrogen bonds.

📜 SIMILAR VOLUMES

rel-(11bR,11cS)-Diethyl 5,10-dihydro-7-n
rel-(11bR,11cS)-Diethyl 5,10-dihydro-7-nitro-4,11-dioxo-1H,3H,4H,11H-2-oxa- 3a,4a,10a,11a-tetra­azabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxyl­ate
✍ Qin, Shuqi ;Yin, Guodong 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 253 KB

In the title compound, C 20 H 21 N 5 O 9 , the dihedral angle between the two five-membered rings of the glycoluril system is 68.79 ( 14) and the crystal structure is stabilized by intermolecular C-HÁ Á ÁO interactions.

Diethyl 5,10-dihydro-6,9-dibromo-4,11-di
Diethyl 5,10-dihydro-6,9-dibromo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a-tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate
✍ Wang, Kunru ;Li, Jing ;She, Nengfang 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 561 KB

In the molecule of the title compound, C 20 H 20 Br 2 N 4 O 7 , one ethyl group is disordered over two positions; site-occupation factors were fixed at 0.63 and 0.37. The non-planar seven-and six-membered rings adopt chair conformations, while the two five-membered rings have envelope conformations.

(11bR,11cS)-rel-Diethyl 6-bromo-9-methox
(11bR,11cS)-rel-Diethyl 6-bromo-9-methoxy-4,11-dioxo-5,10-dihydro-1H,3H,4H,11H-2-oxa-3a,4a,10a,11a-tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate
✍ Li, Jing ;Wang, Kunru ;She, Nengfang 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 580 KB

The title compound, C 21 H 23 BrN 4 O 8 , is a glycoluril derivative in which the oxadiazinane six-membered ring displays a normal chair conformation. The methoxy and Br groups attached to the phenyl ring are disordered in a 0.847 (4):0.153 (4) ratio and the pendant ethoxy group is disordered over t

(13bR,13cS)-rel-11b,11c-Diphenyl-6,11-di
(13bR,13cS)-rel-11b,11c-Diphenyl-6,11-dihydro-1H,3H,4H,13H-2-oxa-3a,4a,5a,11a,12a,13a-hexa­azabenz[f]indeno[2,1,8-ija]naphth[2,3-f]azulene-4,6,11,13-tetrone chloro­form solvate
✍ Hu, Sheng-li ;Guo, Hui-Zhen ;She, Neng-Fang 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 284 KB

The crystal structure of the title compound, C~28~H~22~N~6~O~5~·CHCl~3~, an important intermediate for molecular tweezers, shows intermolecular hydrogen bonding.