Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]propandinitrile
نویسندگان
چکیده
In the title mol-ecule, C22H12N6, the fused tetracyclic core shows a small lengthwise twist as indicated by the dihedral of 2.7 (2)° between the outer rings. In the crystal, mol-ecules stack along the b-axis direction via offset π-stacking [centroid-centroid distances = 3.5282 (13) and 3.5597 (14) Å] with the stacks weakly associated through C-H⋯N hydrogen bonds. The phenyl ring is rotationally disordered over two orientations with an occupancy ratio of 0.516 (4):0.484 (4).
منابع مشابه
Crystal structure of N-[(8E)-12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]hydroxylamine 1,4-dioxane hemisolvate
In the title solvate, C19H13N5O·0.5C4H8O2, the main mol-ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.066 Å). The hydroxyl-amine group is disordered over two orientations in a 0.761 (4):0.239 (4) ratio. The complete dioxane solvent mol-ecule is generated by a crystallographic inversion centre. In the crystal, both disorder components of the hydroxyl-amine group form O-H⋯N hyd...
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The asymmetric unit of title compound, C(12)H(15)BrN(2)O(4)S, contains two mol-ecules (A and B), with slightly different conformations: the bromo-phenyl rings and the SO(2) planes of the sulfonyl groups are oriented at dihedral angles of 50.2 (2) (mol-ecule A) and 58.24 (7)° (mol-ecule B), and the ethyl acetate groups make dihedral angles of 63.99 (19)° (A) and 65.35 (16)° (B) with their bromo-...
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عنوان ژورنال:
دوره 70 شماره
صفحات -
تاریخ انتشار 2014