A study of the spectra and acidity of 4,5‐dihydro‐1H‐benz[g]indazol‐7‐ol and 2,3a,4,5‐tetrahydro‐7‐hydroxy‐3a‐methyl‐3H‐benz[g]indazol‐3‐one

The structure of 1,4‐rlihydro[1 ]benzothiopyrano[4,3‐c ]pyrazole 5,5‐dioxide was determined by single crystal x‐ray diffraction. The molecule crystallizes in space group P21/c with a = 13.4378(6), b = 5.5938(3), c = 12.9837(6)Å, and β = 103.831°. The final R value is 0.083. Surprisingly, the tautomer with N(2)‐H exists in the crystal with the pyrazole ring being planar. The entire system is not planar as the benzene ring is rotated about C(9a) and C(9b) with respect to the pyrazole ring. In the crystal structure the pyrazole exists as hydrogen‐bonded dimers with two molecules related by a center of symmetry.

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Single crystal X‐ray diffraction analysis of 2,3a,4,5‐tetrahydro‐7,8‐dimethoxy‐3a‐methyl‐3H‐benz[g]indazol‐3‐one hemihydrate

Rahman

Ealick

Helm

et al. 1980

Journal of Heterocyclic Chem

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The structure of 2,3a,4,5‐tetrahydro‐7,8‐dimethoxy‐3a‐methyl‐3H‐benz[g]indazol‐3‐one hemihydrate was unequivocally established by means of an X‐ray diffraction analysis of a single crystal. The molecule crystallizes in the space group C2/c with unit cell parameters of a = 18.839(4), b = 7.7694(7), c = 18.211(2) Å and β = 101.06(1). The structure was solved by direct methods and refined by least‐squares methods to an R‐value of 0.069 for 2689 reflections. The indazol‐3‐one unit of the molecule is non‐planar.

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A study of the spectra and acidity of 4,5‐dihydro‐1H‐benz[g]indazol‐7‐ol and 2,3a,4,5‐tetrahydro‐7‐hydroxy‐3a‐methyl‐3H‐benz[g]indazol‐3‐one

Abstract: Die beiden Benzindazol‐Derivate (IV) und (V) werden z.B. in der angegebenen Weise hergestellt und über IR‐, NMR‐ und UV‐Spektren untersucht.

Cited by 3 publications

References 11 publications

ChemInform Abstract: A STUDY OF THE SPECTRA AND ACIDITY OF 4,5‐DIHYDRO‐1H‐BENZ(G)INDAZOL‐7‐OL AND 2,3A,4,5‐TETRAHYDRO‐7‐HYDROXY‐3A‐METHYL‐3H‐BENZ(G)INDAZOL‐3‐ONE

ChemInform Abstract: A STUDY OF THE SPECTRA AND ACIDITY OF 4,5‐DIHYDRO‐1H‐BENZ(G)INDAZOL‐7‐OL AND 2,3A,4,5‐TETRAHYDRO‐7‐HYDROXY‐3A‐METHYL‐3H‐BENZ(G)INDAZOL‐3‐ONE

A single crystal X‐Ray diffraction analysis of 1,9‐dihydro[1] benzothiopyrano[4,3‐c] pyrazole 5,5‐dioxide

Single crystal X‐ray diffraction analysis of 2,3a,4,5‐tetrahydro‐7,8‐dimethoxy‐3a‐methyl‐3H‐benz[g]indazol‐3‐one hemihydrate

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