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The crystal and molecular structure of 2,5‐dichloro‐3‐methoxypyrazine
Author(s) -
Carter D. R.,
Boer F. P.
Publication year - 1972
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.5570090225
Subject(s) - chemistry , monoclinic crystal system , diffractometer , isotropy , anisotropy , crystal structure , hydrogen bond , crystallography , lattice constant , lattice (music) , molecule , thermodynamics , diffraction , organic chemistry , quantum mechanics , physics , acoustics
A three‐dimensional X‐ray structure determination of 2,5‐dichloro‐3‐methoxypyrazine has been completed with diffractometer data. The crystals are monoclinic, space group P2 1 / c , with lattice constants a = 4.059, b = 15.773, c = 11.123Å and β = 90.96° (Z = 4). The structure was solved by Sayre's equation and all hydrogen atoms were located by difference synthesis. Full‐matrix least‐squares refinement of all position parameters, hydrogen isotropic temperature factors, and anisotropic temperature factors for all other atoms converged at R = 5.7% for the 1397 reflections above background. Bond distances and angles are consistent with literature values.