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Structures of azomethine imines of the pyrazolid‐3‐one‐type (V). The structure of 1‐[pyrenyl‐(1)‐methylene]‐5,5‐dimethyl‐pyrazolid‐3‐one‐betaine.
Author(s) -
Kulpe S.,
Seidel I.,
Geissler G.
Publication year - 1983
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170180308
Subject(s) - molecule , methylene , diffractometer , dihedral angle , chemistry , imine , crystallography , crystal structure , betaine , aromaticity , stereochemistry , hydrogen bond , medicinal chemistry , organic chemistry , catalysis
C 22 H 18 N 2 O, P2 1 , a = 7.473(2), b = 13.563(3), c = 18.264(3) Å, β = 115.49(4)°, Z = 4, U = 1670.9(6) Å 3 , D x = 1.295 Mg m −3 , μ(MoKα) = 0.855 cm −1 , crystal size: 0.3 × 0.2 × 0.2 mm, colour: yellow. Final R = 0.086 for 1973 independent reflections excluding those with | F 0 < 3σ( F 0 ). The intensities were measured with an automatic diffractometer. There are two symmetrically independent molecules in the unit cell. The azomethine imine parts of the molecules are similar to those of four other relevant structures determined by X‐ray analysis. A polymethinic part of a molecule is linked with an aromatic part via the bond C(4)–C(5). The mean pyrenyl plains and the mean plains of the five membered rings include dihedral angles of 29.6° for molecule A and 23.7° for molecule B.