4-Benzyl-1-(4-nitrophenyl)-1H-1,2,3-triazole: crystal structure and Hirshfeld analysis
نویسندگان
چکیده
The mol-ecule in the title compound, C15H12N4O2, has a twisted L-shape with the dihedral angle between the aromatic rings of the N-bound benzene and C-bound benzyl groups being 70.60 (9)°. The nitro group is co-planar with the benzene ring to which it is connected [C-C-N-O torsion angle = 0.4 (3)°]. The three-dimensional packing is stabilized by a combination of methyl-ene-C-H⋯O(nitro), methyl-ene-C-H⋯π(phen-yl), phenyl-C-H⋯π(triazol-yl) and nitro-O⋯π(nitro-benzene) inter-actions, along with weak π(triazol-yl)-π(nitrobenzene) contacts [inter-centroid distance = 3.8386 (10) Å]. The importance of the specified inter-molecular contacts has been verified by an analysis of the calculated Hirshfeld surface.
منابع مشابه
Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
In the title compound, C(12)H(12)N(4)O(4), the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked by C-H⋯N hydrogen bonds into layers lying parallel to (100). The cry...
متن کاملN′-(3,4-Dichlorobenzylidene)-5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
In the title compound, C(17)H(12)Cl(2)N(6)O(3), the 1H-1,2,3-triazole ring [maximum deviation = 0.003 (1) Å] forms dihedral angles of 34.08 (6) and 28.38 (6)°, respectively, with the nitro- and dichloro-substituted benzene rings. The dihedral angle between the benzene rings is 6.68 (5)°. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into chains running parallel to the a axis.
متن کاملCationic iridium(III) complexes bearing a bis(triazole) ancillary ligand.
Three new heteroleptic cationic iridium complexes of the form [Ir(C^N)(btl)](+), where btl = 1,1'-benzyl-4,4'-bi-1H-1,2,3-triazolyl and C^N = 2-phenylpyridine (ppyH) (1), 1-benzyl-4-phenyl-1H-1,2,3-triazole (phtl) (2) or 1-benzyl-4-(2,4-difluorophenyl)-1H-1,2,3-triazole (dFphtl) (3), were synthesized and isolated as their hexafluorophosphate (PF6(-)) salts and fully characterized. The single cr...
متن کامل1-Benzyl-4-(naphthalen-1-yl)-1H-1,2,3-triazole
In the title compound, C(19)H(15)N(3), the benzyl group is almost perpendicular to the triazole ring [dihedral angle = 80.64 (8)°], while the napthyl group makes an angle of 30.27 (12)° with the plane of the triazole ring. This conformation is different from the 1-benzyl-4-phenyl-1H-1,2,3-triazole analogue, which has the benzyl ring system at an angle of 87.94° and the phenyl group at an angle ...
متن کامل1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
In the title mol-ecule, C(11)H(11)N(3)O(2), the dihedral angle between the benzene and triazole rings is 76.47 (10)°. The crystal structure exhibits inter-molecular O-H⋯N hydrogen bonds, which lead to the formation of helical chains along [001].
متن کامل