Crystal structure of 3,3′-biisoxazole-5,5′-bis(methyl­ene) dinitrate (BIDN)

Sausa R.C.; Pesce-Rodriguez R.A.; Wingard L.A.; Guzm#225; n P.E.; Sabatini J.J.

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Crystal structure of 3,3′-biisoxazole-5,5′-bis(methylene) dinitrate (BIDN)

机译：3,3'-异恶唑-5,5'-双（亚甲基）二硝酸盐（BIDEN）的晶体结构

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The molecular structure of the title energetic compound, C8H6N4O8, is composed of two planar isoxazole rings and two near planar alkyl-nitrate groups (r.m.s deviation = 0.006 Å). In the crystal, the molecule sits on an inversion center, thus Z′ = 0.5. The dihedral angle between the isoxazole ring and the nitrate group is 69.58 (8)°. van der Waals contacts dominate the intermolecular interactions. Inversion-related rings are in close slip-stacked proximity, with an interplanar separation of 3.101 (3) Å [centroid–centroid distance = 3.701 (3) Å]. The measured and calculated densities are in good agreement (1.585 versus 1.610 Mg m−3).

机译：标题含能化合物C8H6N4O8的分子结构由两个平面异恶唑环和两个接近平面的硝酸烷基酯基组成（r.m.s偏差= 0.006Å）。在晶体中，分子位于反转中心，因此Z'= 0.5。异恶唑环与硝酸酯基的二面角为69.58°（8）°。范德华接触支配着分子间的相互作用。与反转相关的环紧密滑移堆叠，平面间距为3.101（3）Å[质心-质心距离= 3.701（3）Å]。测量和计算的密度相吻合（1.585对1.610 Mg m-3）。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第4期|共3页
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Sausa R.C.; Pesce-Rodriguez R.A.; Wingard L.A.; Guzm#225; n P.E.; Sabatini J.J.;
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机译：3,3'-二异恶唑-5,5'-双（亚甲基）二硝酸酯（BIDN）的晶体结构

Crystal structure of 3,3′-biisoxazole-5,5′-bis(methyl­ene) dinitrate (BIDN)

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Crystal structure of 3,3′-biisoxazole-5,5′-bis(methylene) dinitrate (BIDN)