Synthesis and crystallographic studies of two new 1,3,5‐triazines

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Synthesis and crystallographic studies of two new 1,3,5‐triazines

机译：两种新的1,3,5-三嗪的合成和晶体研究

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The synthesis and characterization of two new 1,3,5‐triazines containing 2‐(aminomethyl)‐1 H ‐benzimidazole hydrochloride as a substituent are reported, namely, 2‐{[(4,6‐dichloro‐1,3,5‐triazin‐2‐yl)amino]methyl}‐1 H ‐benzimidazol‐3‐ium chloride, C 11 H 9 Cl 2 N 6 + ·Cl ? ( 1 ), and bis(2,2′‐{[(6‐chloro‐1,3,5‐triazine‐2,4‐diyl)bis(azanediyl)]bis(methylene)}bis(1 H ‐benzimidazol‐3‐ium)) tetrachloride heptahydrate, 2C 19 H 18 ClN 9 2+ ·4Cl ? ·7H 2 O ( 2 ). Both salts were characterized using single‐crystal X‐ray diffraction analysis and IR spectroscopy. Moreover, the NMR ( 1 H and 13 C) spectra of 1 were obtained. Salts 1 and 2 have triclinic symmetry (space group P ) and their supramolecular structures are stabilized by hydrogen bonding and offset π–π interactions. In hydrated salt 2 , the noncovalent interactions yield pseudo‐nanotubes filled with chloride anions and water molecules, which were modelled in the refinement with substitutional and positional disorder.

机译：报道了两种新的1,3,5-三嗪的合成和表征含有2-（氨基甲基）-1h -benenimidazole作为取代基的盐酸甲唑，即2 - {[（4,6-二氯-1,3,5 - 噻嗪-2-基）氨基]甲基} -1h -benzimidazol-3-Ium氯，C 11 H 9 Cl 2 N 6 +·Cl？（1），和双（2,2' - {[（6-氯-1,3,5-三嗪-2,4-二基）双（氮杂亚胺）]双（亚甲基）} BIS（1 H-Benenimidazol- 3-Ium））四氯化盐七水合物，2C 19 H 18 ClN 9 2+·4CL？ ·7小时2 o（2）。使用单晶X射线衍射分析和IR光谱表征两种盐。此外，获得1的NMR（1 H和13 C）光谱。 Salts 1和2具有三级对称（空间组P），并且它们的超分子结构通过氢键键合和偏移π-π相互作用稳定。在水合盐2中，非共价相互作用产量填充有氯离子和水分子的伪纳米，其在具有替代和位置紊乱的细化中进行建模。

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《Acta crystallographica. Section C, Structural chemistry.》 |2020年第4期|共5页
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正文语种 eng
中图分类晶体学;
关键词
1; 3; 5‐triazine; benzimidazole; crystal structure; noncovalent interaction; NCI; pseudo‐nanotube;

机译：1;3;5-三嗪;苯并咪唑;晶体结构;非价互动;NCI;伪纳米管;

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2. Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. [J] . Carta F, Garaj V, Maresca A, Bioorganic and medicinal chemistry . 2011,第10期

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3. Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. [J] . Carta F, Garaj V, Maresca A, Bioorganic and medicinal chemistry . 2011,第10期

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4. The Study on Synthesis of 2,4-diamino-6-methyl-1,3,5-triazine [C] . The 12th Asian Pacific Confederation of Chemical Engineering Congress(第十二届亚太化工联盟大会暨化工展览会)论文集 . 2008

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6. Cannabinoid Receptor 2 Signalling Bias Elicited by 2,4,6-Trisubstituted 1,3,5-Triazines [O] . Caitlin R. M. Oyagawa, Sara M. de la Harpe, Yurii Saroz, 2018

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Synthesis and crystallographic studies of two new 1,3,5‐triazines

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