The molecular structure of 1,1‐dimethyl‐3‐phenylpyrazolium‐5‐oxide | Zendy

De Camp Wilson H. | Zendy; Stewart James M. | Zendy

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The molecular structure of 1,1‐dimethyl‐3‐phenylpyrazolium‐5‐oxide

Author(s) -

De Camp Wilson H.,

Stewart James M.

Publication year - 1970

Publication title -

journal of heterocyclic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.321

H-Index - 59

eISSN - 1943-5193

pISSN - 0022-152X

DOI - 10.1002/jhet.5570070424

Subject(s) - monoclinic crystal system , chemistry , crystallography , crystal structure , intermolecular force , ring (chemistry) , crystal (programming language) , group (periodic table) , oxide , diffraction , unit (ring theory) , bond length , molecule , resonance (particle physics) , stereochemistry , organic chemistry , atomic physics , optics , physics , mathematics education , mathematics , computer science , programming language

The molecular structure of 1,1‐dimethyl‐3‐phenylpyrazolium‐5‐oxide has been determined by a single crystal x‐ray diffraction study. The crystals are monoclinic, space group P2 1 /a, with unit cell dimensions a = 12.630 (5) Å, b = 6.644 (1) Å, c = 12.486 (5) Å, β = 99.17 (2)°. The final R value was 0.049 for 2930 reflections. The bond lengths and angles suggest that a significant contribution to the structure is made by a resonance form in which one of the ring bonds does not exist. No close intermolecular approaches were found.

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