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5-(4-Methyl-3-nitro-phen-yl)-1H-tetra-zole.

ABSTRACT: In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 38.27?(11)° with the tetra-zole ring. The crystal structure is stabilized by N-H?N hydrogen bonds, forming an infinite one-dimensional chain parallel to the a axis.

SUBMITTER: Dai W

PROVIDER: S-EPMC2962076 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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5-(4-Methyl-3-nitro-phen-yl)-1H-tetra-zole.

Dai Wei W Fu Da-Wei DW

Acta crystallographica. Section E, Structure reports online 20080709 Pt 8

In the title compound, C(8)H(7)N(5)O(2), the benzene ring makes a dihedral angle of 38.27 (11)° with the tetra-zole ring. The crystal structure is stabilized by N-H⋯N hydrogen bonds, forming an infinite one-dimensional chain parallel to the a axis. ...[more]

PMID: 21203160

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5-(2-Methyl-5-nitro-phen-yl)-1H-tetra-zole.

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5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

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1-(4-Chloro-phen-yl)-1H-1,2,3,4-tetra-zole.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(7)H(5)ClN(4), in which the tetra-zole and benzene rings are twisted by dihedral angles of 12.9 (1) and 39.8 (1)°. In the crystal, the independent mol-ecules are connected into a tetra-mer by C-H⋯N hydrogen bonds, generating an R(4) (4)(12) graph-set motif.

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1-(4-Methyl-phen-yl)-1H-1,2,3,4-tetra-zole.

Project description:In the title compound, C(8)H(8)N(4), the dihedral angle between the tetra-zole and benzene rings is 21.6?(1)°. An inter-molecular C-H?? inter-action is observed.

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Project description:In the title compound, C29H19F3N2, the tetra-cyclic ring system is essentially planar [maximum deviation from the best plane = 0.076?(1)?Å] and makes dihedral angles of 78.10?(5) and 33.71?(4)° with the methyl-phenyl and fluoro-phenyl rings, respectively. An intra-molecular C-H?? inter-action occurs. In the crystal, pairs of C-H?? inter-actions link inversion-related mol-ecules.

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5-(4-Chloro-phen-yl)-1H-tetra-zole.

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Crystal structures of (Z)-5-[2-(benzo[b]thio-phen-2-yl)-1-(3,5-di-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole and (Z)-5-[2-(benzo[b]thio-phen-3-yl)-1-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole.

Project description:(Z)-5-[2-(Benzo[b]thio-phen-2-yl)-1-(3,5-di-meth-oxy-phen-yl)ethen-yl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I), was prepared by the reaction of (Z)-3-(benzo[b]thio-phen-2-yl)-2-(3,5-di-meth-oxy-phen-yl)acrylo-nitrile with tri-butyl-tin azide via a [3 + 2]cyclo-addition azide condensation reaction. The structurally related compound (Z)-5-[2-(benzo[b]thio-phen-3-yl)-1-(3,4,5-tri-meth-oxy-phen-yl)ethen-yl]-1H-tetra-zole, C20H18N4O3S, (II), was prepared by the reaction of (Z)-3-(benzo[b]thio-phen-3-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylo-nitrile with tri-butyl-tin azide. Crystals of (I) have two mol-ecules in the asymmetric unit (Z' = 2), whereas crystals of (II) have Z' = 1. The benzo-thio-phene rings in (I) and (II) are almost planar, with r.m.s deviations from the mean plane of 0.0084 and 0.0037 Å in (I) and 0.0084 Å in (II). The tetra-zole rings of (I) and (II) make dihedral angles with the mean planes of the benzo-thio-phene rings of 88.81 (13) and 88.92 (13)° in (I), and 60.94 (6)° in (II). The di-meth-oxy-phenyl and tri-meth-oxy-phenyl rings make dihedral angles with the benzo-thio-phene rings of 23.91 (8) and 24.99 (8)° in (I) and 84.47 (3)° in (II). In both structures, mol-ecules are linked into hydrogen-bonded chains. In (I), these chains involve both tetra-zole and methanol, and are parallel to the b axis. In (II), mol-ecules are linked into chains parallel to the a axis by N-H⋯N hydrogen bonds between adjacent tetra-zole rings.

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