Crystal structure of a tetrazole derivative

Yathirajan, H. S. and Nethaji, M. and Prabhuswamy, B. and Raju, C. R. and Nagaraja, P. and Shashikanth, S. and Ponnuswamy, M. N. and Palani, K. (2006) Crystal structure of a tetrazole derivative. Crystal Research and Technology, 41 (3). pp. 299-303. ISSN 1521-4079

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Abstract 5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole(MBT), C28H24N8, CCDC: 223082, F.W.=472.55, triclinic, P1, a=4.99(1)Å, b=14.25(4)Å, c=16.63(5)Å, α = 90.27(5)°, β = 91.19(5)°, γ = 90.64(5)°, V = 1182(6)Å3, Z = 4, Dcal = 1.327 Mgm-3, μ = 0.084mm-1, F000 = 496, λ (MoKα) = 0.71073Å, final R1 and wR2 are 0.0924 and 0.2309, respectively. There are two crystallographically independent molecules in the asymmetric unit. The dihedral angles between the two phenyl rings of the biphenyl ring system are 44.2(2)° and 44.3(2)° for the two molecules respectively. The molecules are stabilized by N-H…N and C-H…N types of intermolecular hydrogen bonds in the unit cell in addition to van der Waals forces. © 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Item Type: Article
Uncontrolled Keywords: crystal structure, conformation, tetrazole, hydrogen bonding, MBT
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: LA manjunath user
Date Deposited: 26 Aug 2019 07:56
Last Modified: 26 Aug 2019 07:56

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