Crystal and molecular structure of 2‐(1‐[alkyl, aryl)‐2‐acylhydrazino]‐4,6‐diaryloxy‐1,3,5‐triazine, C₂₀H₁₉Br₂N₅O₃

Abstract

Crystal and Molecular Structure of 2-(l-[Alkyl, aryl)-2-acylhydrazino] -4,6-diaryloxy-1,3,5-triazine, C%oHloBrzNeOs The crystal and molecular structure of the title compound has been determined by X-ray diffraction techniques. It crystallizes in the monoclinic space group 1' 2Jc with coll parameters a = 8.760 .&, b = 26.863 .&, c = 9.678 A, and = 108.03". The structure was solved by the heavy atom method and refined by least-squares calculations to the convmtional R value of 0.075.Ilie Kristall-und nColekularstruktur der Titelverbindung wurde mit Hilfc der Itoritgunkristallstrukturanalyse hestimmt. Sie kristallisiert in der monoklinen Kaumgruppe L' 2Jc mit den Gitterkonstanten a = 8,760 A, b = 26,863 8, c = 9,678 A und @ = 106,03".Die Struktur wurde mit der Schweratomtechnik gelost und mit der Methode der kleinsten Quadrate bis zum R-Wert von 0,075 verfeinert.

Structure of 2,4,6-trimethoxy-1,3,5-triazine

“…The N--C bond lengths in the triazine ring range from 1-311 to 1.344 A and the average endocyclic angles at the N and C atoms are 113.3 and 126.8 °, respectively. Such differentiation of bonds and angles in the triazine ring is characteristic of the s-triazine system and has been observed earlier (Graham, Akrigg & Sheldrick, 1977, 1978aReck & Jankowsky, 1981;Reck, Bannier, Just & Goldhahn, 1985).…”

Structure of 2-cyclohexylamino-4,6-dimethoxy-1,3,5-triazine

“…3.75 (5) 0.5184 (3) 0.5887 (2) 3-49 (6) 0.3855 (2) 0.6473 (1) 4.43 (5) 0.9778 (2) 0"6631 (2) 4.45 (6) 1-0475 (3) 0-7881 (2) 4-03 (7) 1.1851 (3) 08497 (2) 4"63 (7) 12607 (3) 09807 (2) 5"18 (9) 1"3352 (3) 1.0082 (2) 5"74 (9) 1.513 (5) N(7)---C(7)--C(12) 111.2 (2) C(12)---C(11) 1.530 (4) N(7)---C(7)--C(8) 111.3 (2) C(I I)--C(10) 1-511 (3) C(8)---C(7}---C(12) 111.4 (2) C(7)---C(8)--C(9) 111.0 (2) C(14)-----O(4)--C(4)~N(5) -2.1 (4) C(8)--C(9)---C(10) 112-4 (2) C(13)-----O(6)--C(6}---N(5) 2.5 (4) C(7)---C(12)---C(i 1) I11.7 (2) C(7)--N(7)--C(2)--N(I) 2.9 (4) C(12)--C(II)--C00) i10.9 (2) C(2)--N(7)--C(7}--C(12) 117.2 (3) C(9)--C(10)--C(I I) 111.7 (2) and 0~ N~ C6 06 C: ~06 The N--C bonds in the triazine ring range from 1.31 to 1.36/~ and average endocyclic angles at the N and C atoms are 112-3 and 127.8 °, respectively. Similar differentation of bonds and angles in the s-triazine ring according to the type and arrangement of substituents is characteristic of the s-triazine system and has been observed previously (Graham, Akrigg & Sheldrick, 1977, 1978aReck & Jankowsky, 1981;Reck, Bannier, Just & Goldhahn, 1985). The exocyclic bond distance C(2)---N(7)= 1.337 (2)A is in the same range as the C--N distances in the triazine ring.…”