Molecular Structure of 4-p-Hydroxyphenyl-3,5-dimethylpyrazole Monohydrate

  1. Foces-Foces, C. 1
  2. Cativiela, C. 2
  3. Serrano, J.L. 2
  4. Zurbano, M.M. 2
  5. Jagerovic, N. 3
  6. Elguero, J. 3
  1. 1 Instituto de Química Física Rocasolano
    info

    Instituto de Química Física Rocasolano

    Madrid, España

    ROR https://ror.org/03xk60j79

  2. 2 Instituto de Nanociencia y Materiales de Aragón
    info

    Instituto de Nanociencia y Materiales de Aragón

    Zaragoza, España

    ROR https://ror.org/031n2c920

  3. 3 Instituto de Química Médica
    info

    Instituto de Química Médica

    Madrid, España

    ROR https://ror.org/02vznxv75

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Revista:
Journal of Chemical Crystallography

ISSN: 1074-1542

Ano de publicación: 1996

Volume: 26

Número: 2

Páxinas: 127-131

Tipo: Artigo

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Outras publicacións en: Journal of Chemical Crystallography

Resumo

The crystal and molecular structure of the monohydrate of 4-p-hydroxyphenyl-3,5-dimethylpyrazole have been determined by X-ray analysis. The compound crystallizes in the orthorhombic Fddd space group with a = 31.6886(19), b = 22.6453(12), c = 12.0800(4) Å, V = 8668.6(8) Å3, Dc = 1.264 g/cm3 and Z = 32. The crystal packing is mainly due to strong O-H···O/N and N-H···O hydrogen bond interactions.