J. Appl. Cryst.の発刊に際して

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A Short History Of...

C12H13ClO4, monoclinic, C2/c (no. 15), a = 35.310(2) A, b = 5.9993(2) A, c = 22.7422(8) A, = 98.692(4)°, V = 4762.3 A, Z = 16, Rgt(F) = 0.0397, wRref(F ) = 0.1048, T = 153 K.

Crystal structure of 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13ClO4

Synthesis, Crystal Structure and Fungicidal Activity of N -(4- tert- buty)-5-(1,2,4-triazol-1-yl)thiazol-2-yl)propionamide

The title compounds, 2-(pyridin-2-yl)-1H-perimidine (C16H11N3; 1), 1-methyl-2-(pyridin-2-yl)-1H-perimidine (C17H13N3; 2), and 1,3-dimethyl-2-(pyridin-2-yl)-1H-perimidinium iodide (C18H16N3+·I-; 3) were synthesized under mild conditions and their structures were determined by 1H NMR spectroscopy and single-crystal X-ray analysis. The N-methyl-ation of the nitro-gen atom(s) at the perimidine moiety results in a significant increase of the inter-plane angle between the pyridin-2-yl ring and the perimidine system. The unsubstituted perimidine (1) forms a weak intra-molecular N-H⋯N bond that consolidates the mol-ecular conformation. In the crystal structures of 1-3, the mol-ecular entities all are assembled through π-π and C-H⋯π inter-actions.

https://journals.iucr.org/e/issues/2021/02/00/wm5594/wm5594.pdf

Synthesis and comparative structural study of 2-(pyridin-2-yl)-1 H -perimidine and its mono- and di- N -methyl-ated analogues.

In the title compound, C12H13ClO4, the 1,3-dioxane ring adopts a chair conformation and the 2-chloro­benzene and methyl substituents occupy equatorial sites. The carboxyl group is in an axial inclination. In the crystal, carb­oxy­lic acid inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R22(8) loops.

https://journals.iucr.org/e/issues/2012/07/00/hb6799/hb6799.pdf

2-(2-Chloro-phen-yl)-5-methyl-1,3-dioxane-5-carboxylic acid.

Abstract C19H16FIN2, orthorhombic, Pbca (no. 61), a = 15.1714(3) Å, b = 14.0610(3) Å, c = 15.9365(3) Å, V = 3399.65(12) Å3, Z = 8, Rgt(F) = 0.0295, wRref(F2) = 0.0787, T = 296(2) K.

Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16ClIN2

C11H20O4, triclinic, P1 (no. 2), a = 6.014(2) Å, b = 9.566(3) Å, c = 10.135(4) Å, , = 96.669(6)°, + = 94.985(6)°, ' = 97.419(6)°, V = 571.2 Å, Z = 2, Rgt(F) = 0.053, wRref(F ) = 0.179, T = 298 K.

Crystal structure of 3,3-dihydroxymethyl- 1,6-dioxa-spiro[5.5]undecane, C11H20O4

Abstract C12H14O4, monoclinic, C2/c, a = 32.6674(8) Å, b = 6.0061(2) Å, c = 23.2786(6) Å, α = 90°, β = 103.368(2)°, γ = 90°, V = 4443.6(2) Å3, Z = 16, Rgt(F) = 0.0459, wRref(F2) = 0.1412, T = 298(2) K.

Lin Yuan

Papers

Crystal structure of 2-(4-chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid, C12H13ClO4

2-(2-Chloro-phen-yl)-5-methyl-1,3-dioxane-5-carboxylic acid.

Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16ClIN2

Crystal structure of 3,3-dihydroxymethyl- 1,6-dioxa-spiro[5.5]undecane, C11H20O4

Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C12H14O4