Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 12 (December 2004)

gd1337 scheme

Acta Cryst. (2004). C60, o879-o883 [doi:10.1107/S0108270104022231]

Four bromo-substituted pyrazoline and isoxazolinone spiro derivatives

G. Bruno, F. Nicoló, A. Rotondo, F. Foti, F. Risitano and G. Grassi

Abstract: Conformational analyses and a structural comparison of the four spiro compounds 3-bromo-1,9-diphenyl-4-p-tolyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one, (I), C₂₄H₁₈BrN₃O₂, 3-bromo-4-(4-methoxyphenyl)-1,9-diphenyl-7-oxa-1,2,8-triazaspiro[4.4]nona-2,8-dien-6-one, (II), C₂₄H₁₈BrN₃O₃, 3-bromo-4-(4-chlorophenyl)-1,7,9-triphenyl-1,2,7,8-tetraazaspiro[4.4]nona-2,8-dien-6-one, (III), C₂₉H₂₀BrClN₄O, and 3-bromo-1,7,9-triphenyl-4-p-tolyl-1,2,7,8-tetraazaspiro[4.4]nona-2,8-dien-6-one, (IV), C₃₀H_22.89Br_1.11N₄O, are presented. The molecular structures are rather similar, which is as expected since the compounds are all products of concerted 1,3-dipolar attack on (Z)-4-arylidene oxazolone and pyrazolone derivatives. The observed conformations tend to favour extended [bold pi] conjugation of the benzene rings and other systems, as shown by a comparison of selected geometric parameters of the four structures.

Formula: C₂₄H₁₈BrN₃O₂, C₂₄H₁₈BrN₃O₃, C₂₉H₂₀BrClN₄O and C₃₀H_22.89Br_1.11N₄O

Online 11 November 2004


	Structure factor file (CIF format) (209.2 kbytes) Contains datablock I

	Structure factor file (CIF format) (198.4 kbytes) Contains datablock II

	Structure factor file (CIF format) (213.9 kbytes) Contains datablock III

	Structure factor file (CIF format) (220.9 kbytes) Contains datablock IV

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