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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 |

REPOSITORIES: biostudies-literature

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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.

Project description:The complete molecule of the compound, C(6)H(4)N(8)O(3), is generated by a crystallographic twofold rotation axis that runs through the central ring. The flanking ring is twisted by 20.2?(1)° with respect to the central ring. One of the amino H atoms forms an intra-molecular N-H?N hydrogen bond; adjacent mol-ecules are linked by N-H?N hydrogen bonds forming a chain running along [10-2].

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Ethyl 4-(tert-butyl-amino)-3-nitro-benzoate.

Project description:In the title compound, C(13)H(18)N(2)O(4), intra-molecular N-H?O, N-H?N and C-H?O (× 3) hydrogen bonds generate S(6) and S(5) ring motifs. There are two crystallographically independent mol-ecules (A and B) in the asymmetric unit. The nitro group is coplanar with the benzene ring, with O-N-C-C torsion angles of -0.33?(13) and 0.93?(14)° in mol-ecules A and B, respectively. In the crystal structure, neighbouring mol-ecules are linked together by inter-molecular C-H?O hydrogen bonds. In addition, the crystal structure is stabilized by ?-? inter-actions with centroid-centroid distances ranging from 3.7853?(6) to 3.8625?(6)?Å.

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4-tert-Butyl-amino-3-nitro-benzoic acid.

Project description:In the title compound, C(11)H(14)N(2)O(4), all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919?(3)?Å and is twisted by a torsion angle of 62.9?(2)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif. In the crystal packing, the mol-ecules are linked together by O-H?O hydrogen bonds, forming dimers with graph-set motif R(2) (2)(8) which propagate along the a-axis direction. C-H?O contacts link adjacent dimers with a graph-set motif C(2) (2)(7), forming chains along b, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short inter-molecular O?O=C [2.655?(4)?Å] contacts.

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2-(4-tert-Butyl-phen-yl)-5-{3,4-dibutoxy-5-[5-(4-tert-butyl-phen-yl)-1,3,4-oxadiazol-2-yl]-2-thienyl}-1,3,4-oxadiazole.

Project description:In the title compound, C(36)H(44)N(4)O(4)S, the dihedral angles between the central thio-phene ring and the pendent oxadiazole rings are 12.7?(2) and 13.7?(2)°, and the dihedral angles between the oxadiazole rings and their adjacent benzene rings are 6.1?(2) and 17.5?(2)°. An intra-molecular C-H?O inter-action may help to establish the conformation.

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Bis[4-(dimethyl-amino)phen-yl]diazene oxide.

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

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Project description:The title compound, C(15)H(24)N(2)O(4)Si, was prepared by the reaction of (3-acetamido-5-nitro-benz-yl)methanol with tert-butyl-dimethyl-silyl chloride and is a key inter-mediate in the synthesis of novel nonsymmetrical DNA minor groove-binding agents. There are two independent mol-ecules in the structure, which differ primarily in the rotation about the C-O bond next to the Si atom. Two strong N-H?O hydrogen bonds align the mol-ecules into a wide ribbon extending approximately parallel to the b axis.

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2-tert-Butyl-6-[(4-chloro-2-nitro-phen-yl)diazen-yl]-4-methylphenol.

Project description:In the title compound, C(17)H(18)ClN(3)O(3), the dihedral angle between the planes of the two benzene rings is 1.03?(7)°. The overall conformation of the mol-ecule is influenced, in part, by electron delocalization and by an intra-molecular bifurcated O-H?(O,N) hydrogen bonds. The O atoms of the nitro group, one of which serves as an H bond acceptor, are disordered over two sets of sites with refined occupancies of 0.56?(3) and 0.44?(3).

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3-tert-Butyl-1-(3-nitro-phen-yl)-1H-pyrazol-5-amine.

Project description:In the title compound, C(13)H(16)N(4)O(2), the pyrazole ring forms a dihedral angle of 50.61?(6)° with the 3-nitro-phenyl ring. The plane of the nitro group is twisted by 6.8?(7)° out of the plane of the phenyl ring. In the crystal, the mol-ecules are linked by N-H?N and N-H?O hydrogen bonds, forming sheets in the bc plane. In addition, a weak C-H?N inter-action is observed.

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2,6-Di-tert-butyl-4-(dimethyl-amino-meth-yl)phenol.

Project description:The title compound, C(17)H(29)NO, is an important hindered phenol derivative. The asymmetric unit contains two mol-ecules. Molecules inter-act through O-H?N hydrogen bonds to form a tetramer arranged around a twofold rotation axis.

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