Systematic crystallographic investigation of hydrogen-bonded networks involving monohydrogen tartrate-amine complexes: potential materials for nonlinear optics

Kadirvelraj, Renuka ; Umarji, Arun M. ; Robinson, Ward T. ; Bhattacharya, Santanu ; Guru Row, Tayur N. (1996) Systematic crystallographic investigation of hydrogen-bonded networks involving monohydrogen tartrate-amine complexes: potential materials for nonlinear optics Chemistry of Materials, 8 (9). pp. 2313-2323. ISSN 0897-4756

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Official URL: http://pubs.acs.org/doi/abs/10.1021/cm960123b

Related URL: http://dx.doi.org/10.1021/cm960123b

Abstract

Crystal structures of six binary salts involving aromatic amines as cations and hydrogen tartrates as anions are presented. The materials are 2,6-xylidinium-L-monohydrogen tartrate monohydrate, C12H18O6.5N, P22121, a = 7.283(2) Å, b = 17.030(2) Å, c = 22.196(2) Å, Z = 8; 2,6-xylidinium-D-dibenzoyl monohydrogen tartrate, C26H25O8N, P21, a = 7.906(1) Å, b = 24.757(1) Å, c = 13.166(1) Å, β = 105.01(1)° , Z = 4; 2,3-xylidinium-D-dibenzoyl monohydrogen tartrate monohydrate, C26H26O8.5N, P21, a = 7.837(1) Å, b = 24.488(1) Å, c = 13.763(1) Å, β = 105.69(1)°, Z = 4; 2-toluidinium-D-dibenzoyl monohydrogen tartrate, C25H23O8N, P212121, a = 13.553(2) Å, b = 15.869(3) Å, c = 22.123(2) Å, Z = 8; 3-toluidinium-D-dibenzoyl monohydrogen tartrate (1:1), C25H23O8N, P1, a = 7.916(3) Å, b = 11.467(6) Å, c = 14.203(8) Å, α = 96.44(4)°, β = 98.20(5)°, = 110.55(5)°, Z = 2; 3-toluidinium-D-dibenzoyl tartrate dihydrate (1:2), C32H36O10N, P1, a = 7.828(3) Å, b = 8.233(1) Å, c = 24.888(8) Å, α = 93.98° , β = 94.58(3)° , = 89.99(2)° , Z = 2. An analysis of the hydrogen-bonding schemes in terms of crystal packing, stoichiometric variations, and substitutional variations in these materials provides insights to design hydrogen-bonded networks directed toward the engineering of crystalline nonlinear optical materials.

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