Stability of Hydrated M 1 + -DNAs: A Challenge in the Theory of Nonlinear Systems

Basicity of N-H- and N-Methyl-1,2,3-triazoles in the Gas Phase, in Solution, and in the Solid State − An Experimental and Theoretical Study

“…[83] Most of the calculations were performed using the Xtal3.6 system [84] of programs and PARST. [85] The CIF files were deposited with the Cambridge Crystallographic Data Centre (4: CCDC-151609; 15: CCDC-151610).…”

The Crystal Structures of the Trihalogenphosphonium Salts X3PH+As2F11− (X = Cl, Br)

“…[13] The ClϪPϪCl angles of 109.5(1)°to 110.1(5)°are wider than in phosphorus trichloride [PCl 3 : ClϪPϪCl ϭ 100.07 (7)Ϫ100.19(7)°]. [13] The two independent cations form the same kind of interionic contacts to the fluorine atoms of neighbouring an- P(1)ϪCl (11) 192.9(1) Cl (11)ϪP (1)ϪCl (12) 109.9(9) P(1)ϪCl (12) 193.6(2) Cl(11a)ϪP (1)ϪCl (12) 109.9(5) P(2)ϪCl (21) 193.6(1) Cl (22)ϪP (2)ϪCl (21) 110.1(5) P(2)ϪCl (22) 193.1(2) Cl(21)ϪP(2)ϪCl(21a) 109.5(1) As(1)ϪF (11) 168.4(3) As(1)ϪF (12) 169.6(2) As (1)ϪF (14)ϪAs (2) 145.6(2) As(1)ϪF (13) 167.7(2) F (14)ϪAs (1)ϪF (11) 178.1(4) As(1)ϪF (14) 193.7(3) F (12)ϪAs (1)ϪF (13) 89.7(1) As (2)ϪF (21) 168.4(3) As (2)ϪF (22) 169.2 (3) As (3)ϪF (32)ϪAs (4) 148.3(2) As (2) X-ray Crystal structure of Br 3 PH ؉ As 2 F 11 ؊ Br 3 PH ϩ As 2 F 11 Ϫ crystallises in the monoclinic space group P2 1 /m (No. 14) with a ϭ 617.7(1) pm, b ϭ 872.4 (2) pm, c ϭ 1182.5(2) pm, β ϭ 94.68(3)°and two formula units per unit cell.…”

“…(1) 110.3(2) As(1)ϪF (11) 170.1(5) As(1)ϪF (12) 170.0 (7) As (1)ϪF (15)ϪAs (2) 145.9(4) As(1)ϪF (13) 171.0(6) F (11)ϪAs (1)ϪF (12) 89.8(2) As(1)ϪF (14) 172.9(6) F (13)ϪAs (1)ϪF (14) 174.9(4) As(1)ϪF (15) 183.6(6) As (2)ϪF (21) 168.5(5) Br(1)·····F(13) 306.1(3) As (2)ϪF (22) 168.5 (7) Br(1)·····F(21) 325.1(2) As(2)ϪF(23) 167.8(6) Br(2)·····F(22) 300.8 (7) As (2)ϪF (15) 202.0 (6) [a] Symmetry operation: a ϭ x, y Ϫ 1.5, z.…”

Controlled Generation of Three Contiguous Stereocentres in the Michael Addition of 1-Pyrrolidinocyclohexene to (E)-(1-Methyl-2-oxoindolin-3-ylidene)acetophenone

“…Hydrogen atoms were located in a difference Fourier map for 7b. Geometrical calculations were made with PARST (Nardelli, 1983). The crystallographic plots were made with PLATON (Spek, 2001).…”