0000000001308600
AUTHOR
Kanan Wahedy
1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one
In the title compound, C20H10Cl3N5O, the 13-membered ring system makes dihedral angles of 78.64 (9)° with the trichlorophenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π interactions between the 13-membered ring systems [centroid–centroid distance = 3.6655 (11)°].
Crystal structures of pure 3-(4-bromo-2-chlorophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one and contaminated with 3-(4-bromophenyl)-1-(pyridin-4-yl)benzo[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one
The side product of the cyclocondensation reaction between ethyl benzimidazole-2-carboxylate and the nitrile imine of the corresponding hydrazonyl chloride, C20H11BrClN5O, crystallized in two crystal forms. Form (1) is a co-crystal of the target compound (without any chlorine substituent) and a side product containing a Cl atom in position 2 of the bromophenyl group, C20H12BrN5O·0.143C20H11BrClN5O. (2) contains the pure side product. The slightly different conformation of the ring systems leads to a different packing of (1) and (2), but both crystal structures are dominated by p-p interactions.
Efficient Synthesis and X-ray Structure of [1,2,4]Triazolo[4,3-a]pyridines via Oxidative Cyclization Using N-Chlorosuccinimide (NCS)
Triazolopyridines are a family of compounds that, owing to their biological activity, have many pharmaceutical applications. In this study, 3-(pyridine-4-yl)-[1,2,4]triazolo[4,3-a]pyridine and 6-bromo-3-(pyridine-4-yl)-[1,2,4]triazolo[4,3-a]pyridine were synthesized by using the chlorinated agent NCS for hydrazones under very mild conditions. The characterization of these compounds was achieved by 1H NMR, 13C NMR, FTIR, MS and X-ray diffraction. The compound 3-(pyridine-4-yl)-[1,2,4]triazolo[4,3-a]pyridine was crystallized in the monoclinic space group P 21/c with a = 15.1413(12), b = 6.9179(4), c = 13.0938(8) Å, β = 105.102(6)°, V = 1324.16(16)Å3, Z = 4, and R = 0.0337. Also compound 6-bro…
CSD 2099609: Experimental Crystal Structure Determination
Related Article: Said El-Kurdi, Bassam Abu Thaher, Kanan Wahedy, Dieter Schollmeyer, Levin Nopper, Oliver Riester, Hans-Peter Deigner|2021|Crystals|11|1156|doi:10.3390/cryst11101156
CSD 2099612: Experimental Crystal Structure Determination
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CSD 2099610: Experimental Crystal Structure Determination
Related Article: Said El-Kurdi, Bassam Abu Thaher, Kanan Wahedy, Dieter Schollmeyer, Levin Nopper, Oliver Riester, Hans-Peter Deigner|2021|Crystals|11|1156|doi:10.3390/cryst11101156
CCDC 2049251: Experimental Crystal Structure Determination
Related Article: Said El-Kurdi, Bassam Abu Thaher, Kanan Wahedy, Dieter Schollmeyer, Levin Nopper, Oliver Riester, Hans-Peter Deigner|2021|Crystals|11|1156|doi:10.3390/cryst11101156
CCDC 2049252: Experimental Crystal Structure Determination
Related Article: Said El-Kurdi, Bassam Abu Thaher, Kanan Wahedy, Dieter Schollmeyer, Levin Nopper, Oliver Riester, Hans-Peter Deigner|2021|Crystals|11|1156|doi:10.3390/cryst11101156
CSD 2099611: Experimental Crystal Structure Determination
Related Article: Said El-Kurdi, Bassam Abu Thaher, Kanan Wahedy, Dieter Schollmeyer, Levin Nopper, Oliver Riester, Hans-Peter Deigner|2021|Crystals|11|1156|doi:10.3390/cryst11101156