TY - JOUR
T1 - Crystal structures of two triazoles
AU - Sridhar, M. A.
AU - Lokanath, N. K.
AU - Prasad, J. Shashidhara
AU - Rangappa, K. S.
AU - Kumar, N. V.Anil
AU - Gowda, D. G.Bhadre
PY - 1998
Y1 - 1998
N2 - I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.
AB - I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.
UR - https://www.scopus.com/pages/publications/0032283525
UR - https://www.scopus.com/inward/citedby.url?scp=0032283525&partnerID=8YFLogxK
U2 - 10.1080/10587259808045654
DO - 10.1080/10587259808045654
M3 - Article
AN - SCOPUS:0032283525
SN - 1058-725X
VL - 319
SP - 137
EP - 146
JO - Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
JF - Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
ER -