Two Polymorphs of 4,5-Dichloro-6(1H)-Pyridazinone

Journal Title, Volume, Page:

Acta Crystallographica Section C Volume 41, Issue 12, pages 1807–1810, December 1985

Year of Publication:

1985

Link:

http://onlinelibrary.wiley.com/doi/10.1107/S0108270185009544/abstract

Authors:

V. M. Lynch

Department of Chemistry, the university of texas at Austin, Texas 78712, USA

S. H. Simonsen

Department of Chemistry, the University of texas at Austin, Texas 78712, USA

M. J. Musmar

Department of Medicinal Chemistry and Pharmacognosy, the Universty of Husten, Husten, Texas 77004, USA

Current Affiliation:

Department of Pharmacy, Faculty of Medicine and Health Sciences, An-Najah National University, Nablus, Palestine

[email protected]

G. E. Martin

Department of Medicinal Chemistry and Pharmacognosy, the Universty of Husten, Husten, Texas 77004, USA

Preferred Abstract (Original):

C4H2CI2N:O, Mr= 164.99; form (1): monoclinic, P21/c, a = 5.1967 (12), b = 9.046 (2), c = 12.901 (3) Å, β= 100.090 (15)°, V = 597.1 (2) Å3, Z=4,Dx= 1.84g cm-3,Mo Ka, λ=0.71069 Å, µ= 9.93 cm -1, F(000) = 328, T= 163 K, R = 0.028 for 1552 reflections; form (II): monoclinic, P21 /c, a = 5.3384 (7), b = 13.827 (2), c = 7.9107 (12)Å, β=94.397 (14)°, V = 582.20 (14) A3 Z = 4, Dx = 1.88 g cm-3, Mo Ka, λ = 0.71069 Å, µ = 10.18 cm -1, F(000) = 328, T= 163 K, R = 0.025 for 1597 reflections. The compound, in each form, exists in the oxo form and crystallizes as hydrogen-bonded dimers. Infinite layers of dimers result from C-H ... O- and C –H...CI-type H bonds for forms (I) and (II), respectively [H...O 2.25 (2), C…O 3.076 (2); H---CI 2.74 (2), C---CI 3.534 (1) Å]. There are only minor differences in the bond distances and angles of the two forms.

Attachment	Size
Two_Polymorphs_of_4-5-Dichloro-6(1H)-Pyridazinone.pdf	1.14 MB

An-Najah Staff

Author Information

Two Polymorphs of 4,5-Dichloro-6(1H)-Pyridazinone