Journal of crystallographic and spectroscopic research

X-ray crystal structure of bis (4-nitropyrazol-1-yl) methane, and some empirical rules concerning the bond angles in pyrazoles

F Bonati, B Bovio

Index: Bonati, Flavio; Bovio, Bruna Journal of Crystallographic and Spectroscopic Research, 1990 , vol. 20, # 3 p. 233 - 244

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Citation Number: 39

Abstract

Abstract The crystal structure of bis (4-nitropyrazol-1-yl) methane has been determined by X- ray diffraction. The nitro groups form angles of 16.45 (6) and 11.83 (7)°, respectively, with the pyrazole ring to which they are attached. The internal and external angles of the pyrazole rings follow a set of empirical rules:(1) N (1)-N (2)-C (3) is smaller than N (2)-N (1)-C (5);(2) N (2)-C (3)-C (4) is larger than N (1)-N (2)-C (3) and at least one chosen between C (3)-C ( ...