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2-tert-Butyl-1-(4-nitro-amino-1,2,5-oxadiazol-3-yl)diazene 1-oxide.

ABSTRACT: In the title compound, C(6)H(10)N(6)O(4), the nitro-amine -NHNO(2) substituent and the C-N=N(→ O) unit of the other substituent of the oxadiazole ring are nearly coplanar with the five-membered ring [dihedral angles = 5.7 (1) and 3.0 (1)°]. The amino group of the -NHNO(2) substituent is a hydrogen-bond donor to the two-coordinate N atom of the C-N=N(→ O) unit.

SUBMITTER: Li XZ

PROVIDER: S-EPMC3393977 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-tert-Butyl-1-(4-nitro-amino-1,2,5-oxadiazol-3-yl)diazene 1-oxide.

Li Xiang-Zhi XZ Wang Bo-Zhou BZ Fan Xue-Zhong XZ Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120623 Pt 7

In the title compound, C(6)H(10)N(6)O(4), the nitro-amine -NHNO(2) substituent and the C-N=N(→ O) unit of the other substituent of the oxadiazole ring are nearly coplanar with the five-membered ring [dihedral angles = 5.7 (1) and 3.0 (1)°]. The amino group of the -NHNO(2) substituent is a hydrogen-bond donor to the two-coordinate N atom of the C-N=N(→ O) unit. ...[more]

PMID: 22798842

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4-[4-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine.

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tert-Butyl 2-methyl-2-(4-nitro-benzo-yl)propanoate.

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Tris(4-tert-butyl-phen-yl)phosphine oxide.

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Crystal structures and Hirshfeld surface analyses of (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene.

Project description:The crystal structures and Hirshfeld surface analyses of four similar azo compounds are reported. (E)-1-[1-(4-tert-Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-phenyl-diazene, C18H18Cl2N2, (I), and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-methyl-phen-yl)diazene, C19H20Cl2N2, (II), crystallize in the monoclinic space group C2/c with Z = 8, and (E)-1-[1-(4-tert-butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(4-meth-oxy-phen-yl)diazene, C19H20Cl2N2O, (III), in the monoclinic space group P21/c with Z = 4. (E)-1-[1-(4-tert-Butyl-phen-yl)-2,2-di-chloro-ethen-yl]-2-(3-methyl-phen-yl)diazene, C19H20Cl2N2, (IV), crystallizes in the triclinic space group P with Z = 4 and comprises two mol-ecules (A and B) in the asymmetric unit. In the crystal structures of (I) and (II), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming layers parallel to (02), while mol-ecules of (III) are linked by C-H⋯O contacts, C-H⋯π and C-Cl⋯π inter-actions forming layers parallel to (02). The stability of the mol-ecular packing is ensured by van der Waals forces between these layers. In the crystal structure of (IV), mol-ecules are linked by C-H⋯π and C-Cl⋯π inter-actions, forming a tri-periodic network.

| S-EPMC10439426 | biostudies-literature

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