Etude comparée des structures cristallines de CuX.CH₃CN et de CuX.C₆H₅CN (X = Cl, Br)

Ab initio calculations on the bonding properties of isonitrile and nitrile ligands

“…In contrast to isonitriles, complexed nitriles in general exhibit little bending (NCR = 170-180') with no obvious correlation between the degree of bending and the C-N bond length," which is more affected by the nature of the metal to which the nitrile is bound. 22 Calculations have been performed on both linear and bent (NCR = 165") NCCH, geometries using bond lengths (N-C = 1.14 and C-C = 1.45 A) taken from the structures of VOCl3-NCR (R = Ph, Me, or CH2Ph). 23 Analogous bond lengths in both ~n i -~~ and poly-metallic 25 low-valent complexes show only small deviations from these values.…”

Lewis base adducts of Group 11 metal(I) compounds. Part 36. The synthesis and X-ray crystallographic characterisation of polymeric copper(I) iodide–benzonitrile (2/1)

“…As expected, the geometries around the copper atoms are not unusual. It is worth noting, however, that, as for 1 04.00 ( 7) I( 4) CU(3)CU( 4) Cu( 3)CU(4"') Cu( 4)C u( 4"') 109.9(3) 11 1.1(3) 1 10.4(3) 1 13.84 (7) 98.31(8) 1 12.69 (8) 65.07 (7) 67.3 1 (7) 1 00.4 1 (7) [(CuI),(2Me-py)], the two p4 iodide atoms exhibit marginally longer I-Cu distances on average than the two p3 atoms: Additional material available from the Cambridge Crystallographic Data Centre comprises H-atom co-ordinates, thermal parameters, and remaining bond lengths and angles.…”

Etude structurale de méthylacrylonitrile–bromure de cuivre, CH2δb C(CH3)CN.CuBr

“…Les deux distances Cu,--N, egales /l 1,968 (10) A, sont tr~s proches de la moyenne (1,975 A) des r~sultats observes ant~rieurement et que nous avons r6unis dans un article r6cent (Massaux & Le Bihan, 1976b). Les angles des liaisons de sommet Cu(2) ont pour moyenne arithm&ique 109,4 (3) °.…”

“…Dans CuI. CH3NC (Fisher et al, 1960), la distance observ6e dans les m~mes conditions est 2,885 A. Les cha3nes doubles infinies (Cu2X2)oo rencontr~es dans CuX.CH3CN ou CuX.C6HsCN (X = CI, Br) conduisaient /~ des valeurs un peu sup6rieures h 3 A (Massaux & Le Bihan, 1976b).…”

“…EUe est sch~matis6e sur la On remarque que la triple liaison N--C(0) est plus courte [1,132 (15) A] que dans une mol6cule fibre [1,158 (3) A]. Ce ph~nom6ne appara[t tr6s fr6quem-ment dans les compos+s de coordination mettant en jeu une liaison m&al-azote: des exemples sont donn6s dans une precedent article (Massaux & Le Bihan, 1976b). Ce raccourcissement s'accompagne d'6carts la lin6arit6 de la cha3ne Cu(2),--N-C(0)-C(1).…”