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ISSN: 2414-3146

August 2019 issue

Highlighted illustration

Cover illustration: The asymmetric unit of 5-chloro-2-ferrocenylbenzo[d]oxazole, [Fe(C5H5)(C12H7ClNO)], consists of one ferrocenyl group bonded to chloro­benzo[d]oxazole. The conformation of the ferrocenyl moiety is slightly away from eclipsed. The crystal packing is characterized by inter­molecular [pi]-[pi] contacts, resulting in chain formation along the b-axis direction. Together with a C-H...[pi] inter­action, these inter­molecular contacts form laminar arrays along the ac plane. See: Sánchez-García, Flores-Alamo, Martínez-Falcón & Klimova [IUCrData (2019). 4, x191096].

metal-organic compounds

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In 5-chloro-2-ferrocenylbenzo[d]oxazole, the chloro­benzo[d]oxazole and the cyclo­penta­dienyl ring attached to it make a dihedral angle of 11.3 (4)°. The conformation of the ferrocenyl moiety is slightly away from eclipsed.

organic compounds

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The most important inter­molecular inter­actions in the title compound are bifurcated N—H⋯(O,O) hydrogen bonds.

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The title compound has been synthesized and its X-ray crystallographic structure determined so as to analyse its mol­ecular structure, geometrical parameters and hydrogen bonding.

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The title compound, C16H12, crystallizes with four half mol­ecules in the asymmetric unit, each of which is located on a crystallographic centre of inversion. The mol­ecules are essentially planar. The crystal studied was a non-merohedral twin.
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