NDLI: Order and Disorder in the Structures of Two Crystal Polymorphs of the Adduct Bis(Quinolinium-2-Carboxylate) DL-Malic Acid

Content Provider	Springer Nature Link
Author	Smith, Graham Wermuth, Urs D.
Copyright Year	2010
Abstract	The structures of two polymorphs of the anhydrous cocrystal adduct of bis(quinolinium-2-carboxylate) DL-malic acid, one triclinic the other monoclinic and disordered, have been determined at 200 K. Crystals of the triclinic polymorph 1 have space group P-1, with Z = 1 in a cell with dimensions a = 4.4854(4), b = 9.8914(7), c = 12.4670(8) Å, α = 79.671(5), β = 83.094(6), γ = 88.745(6)°. Crystals of the monoclinic polymorph 2 have space group P2$_{1}$/c, with Z = 2 in a cell with dimensions a = 13.3640(4), b = 4.4237(12), c = 18.4182(5) Å, β = 100.782(3)°. Both structures comprise centrosymmetric cyclic hydrogen-bonded quinolinic acid zwitterion dimers [graph set R22(10)] and 50% disordered malic acid molecules which lie across crystallographic inversion centres. However, the oxygen atoms of the malic acid carboxylic groups in 2 are 50% rotationally disordered whereas in 1 these are ordered. There are similar primary malic acid carboxyl O–H···O$_{quinaldic acid}$ hydrogen-bonding chain interactions in each polymorph, extended into two-dimensional structures but in 1 this involves centrosymmetric cyclic head-to-head malic acid hydroxyl-carboxyl O–H···O interactions [graph set R22(10)] whereas in 2 the links are through single hydroxy-carboxyl hydrogen bonds.The structure determinations of two crystal polymorphs of the 2:1 adduct of quinolinium-2-carboxylate with DL-malic acid has shown one to be triclinic and ordered while in the second monoclinic form the carboxylic acid groups of the malic acid moiety are disordered.
Starting Page	241
Ending Page	246
Page Count	6
File Format	PDF
ISSN	10741542
Journal	Journal of Chemical Crystallography
Volume Number	41
Issue Number	2
e-ISSN	15728854
Language	English
Publisher	Springer US
Publisher Date	2010-08-26
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Quinaldic acid DL-malic acid adducts Polymorphism Disorder Hydrogen bonding Inorganic Chemistry Physical Chemistry Crystallography Organometallic Chemistry
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

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