Crystal Structures of Two Biphenyl Compounds

Abstract

The crystal structures of two biphenyl compounds 3‐amino ‐2,4 dicyano ‐ 3',4',5' trimethoxy ‐ 1,3 terphenyl (I) and 3‐amino ‐2,4,dicyano ‐5‐ methyl ‐ 4'‐N,N diethyl amino biphenyl (II) are described here (CCDC NO. : 134369 & 134370). The title compounds C23H15N3O3 (I) and C19 H19N4 (II) crystallized in the centrosymmetric triclinic space group P‐1 and non‐centrosymmetric orthorhombic space group Fdd2 respectively. The unit cell parameters are : (I) a = 10.3555(2), b = 10.7103(2), c = 11.0096(0)Å, α = 64.1(0), β = 65.9(0), γ = 89.6(0)° ; Z=2 and (II) a = 23.0364(1), b = 37.2165(1), c = 7.7491(0)Å, α = β = γ = 90.0(0)°; Z=16. The R factors for compound (I) and (II) are 0.053 and 0.064 respectively.

A monoclinic polymorph of 3-amino-4′-(N,N-diethylamino)-5-methylbiphenyl-2,4-dicarbonitrile

“…Centrosymmetrically related molecules in the crystal are linked by NÐHÁ Á ÁN hydrogen bonds to form cyclic dimers. The structure of the monoclinic polymorph differs from that of the orthorhombic form reported earlier [Subbiah Pandi et al, (2000). Cryst.…”

“…Biphenyl derivatives exhibit a wide spectrum of photophysical, biological and laser activities (Shukla et al, 1985;Nieger et al, 1998). We recently reported the structure of 3-Amino-4′-(N,N-diethylamino)-5-methylbiphenyl-2,4-dicarbonitrile, (I), in the orthorhombic system (Subbiah Pandi et al, 2000). Here we report the structural details of the monoclinic polymorph of (I).…”

Crystal Structures of two Imidazole Derivatives

“…In BCCI, the two phenyl rings (biphenyl ring system) are planar (maximum deviation AE 0.014(5)Å ), and the mutual orientation of these phenyl rings is 45.1(1) , a common feature observed in many biphenyl derivatives [16]. In the biphenyl ring system, the endocyclic bond angles at C16 and C20 are contracted to 118.0(4) and 118.3(4) , respectively, due to steric hindrance between the rings.…”