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
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چکیده
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 hydrogen bonds to the same N-atom acceptor, thereby generating [010] chains. The chains encompass [010] channels occupied by the solvent mol-ecules. Aromatic π-π stacking is also observed [shortest centroid-centroid separation = 3.3394 (19) Å].
منابع مشابه
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
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...
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In the crystal structure of the title compound, C(17)H(16)N(2)O(3)·0.5C(4)H(8)O(2), pairs of N-H⋯N hydrogen bonds link mol-ecules into dimers with R(2) (2)(12) motifs, which are connected by N-H⋯O hydrogen bonds, forming a supra-molecular array in the ab plane. The 1,4-dioxane ring, which lies about an inversion center, adopts a chair conformation.
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In the title compounds, C27H28N2O3, (I), and C28H30N2O3, (II), the conformation about the C=N bond is E. The piperidine rings adopt chair conformations with the attached phenyl rings almost normal to their mean planes, the dihedral angles being 85.82 (8) and 85.84 (7)° in (I), and 87.98 (12) and 86.42 (13)° in (II). The phenyl rings are inclined to one another by 52.87 (8)° in (I) and by 60.51 ...
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In the title compound, C(30)H(27)N(3)O(6), the furan and pyrrolidine rings adopt envelope conformations (with C and N atoms as the flaps, respectively). The piperidine ring is in a distorted boat conformation. The β-lactam ring is planar [maximum deviation = 0.0044 (16) Å] and forms dihedral angles of 30.61 (9) and 85.51 (9)°, respectively, with the attached meth-oxy-phenyl and phen-oxy rings. ...
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