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3-(4-Chlorophenyl)-6-(4-methoxybenzyl)-1,2,4,5-tetrazine

✍ Scribed by Xu, Feng ;Hu, Wei-Xiao

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
444 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 16 H 13 ClN 4 O, crystallizes with two unique molecules in the asymmetric unit; these differ in the orientation of the methoxy group. In both molecules, the chlorophenyl ring is almost coplanar with the central tetrazine ring, but the methoxyphenyl ring is twisted. The crystal packing is governed by C-HÁ Á ÁCl and C-HÁ Á Á interactions.

📜 SIMILAR VOLUMES

3-(4-Chloro­phen­yl)-6-methyl-1,6-dihydr
3-(4-Chloro­phen­yl)-6-methyl-1,6-dihydro-1,2,4,5-tetra­zine
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The title compound, C~9~H~9~ClN~4~, was prepared from sodium borohydride and 3-(4-chlorophenyl)-6-methyl-1,2,4,5-tetrazine. The molecule can be considered to be homoaromatic. The tetrazine ring adopts an unsymmetrical boat conformation.

3-(4-Methoxy­phen­yl)-6-methyl-1,2,4,5-t
3-(4-Methoxy­phen­yl)-6-methyl-1,2,4,5-tetra­zine
✍ Xu, Feng ;Hu, Wei-Xiao 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 105 KB

In the title compound, C 10 H 10 N 4 O, the tetrazine ring is twisted with respect to the benzene ring, with a dihedral angle of 14.8 (4) .

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✍ Xu, Feng ;Hu, Wei-Xiao 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 118 KB

In the title molecule, C 16 H 14 N 4 O, the tetrazine ring makes dihedral angles of 6.77 (12) and 70.5 (5) with the phenyl and methoxy-substituted benzene rings, respectively. The crystal packing exhibitsstacking interactions and weak intermolecular C-HÁ Á ÁN hydrogen bonds.