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1.
Hiroshi Katagiri Masao Morimoto Kenichi Sakai 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(1):o20-o24
The crystal structures of a pair of diastereomeric 1:2 salts of (R)‐ and (S)‐2‐methylpiperazine with (2S,3S)‐tartaric acid, namely (R)‐2‐methylpiperazinediium bis[hydrogen (2S,3S)‐tartrate] monohydrate, (I), and (S)‐2‐methylpiperazinediium bis[hydrogen (2S,3S)‐tartrate] monohydrate, (II), both C5H14N22+·2C4H5O6−·H2O, each reveal the formation of well‐defined head‐to‐tail‐connected hydrogen tartrate chains; these chains are linked into a two‐dimensional sheet via intermolecular hydrogen bonds involving hydroxy groups and water molecules, resulting in a layer structure. The (R)‐2‐methylpiperazinediium ions lie between the hydrogen tartrate layers in the most stable equatorial conformation in (I), whereas in (II), these ions are in an unstable axial position inside the more interconnected layers and form a larger number of intermolecular hydrogen bonds than are observed in (I). 相似文献
2.
Udo Beckmann Sally Brooker 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):o653-o655
The structure of the cocrystallized 1:1 adduct of (S,S)‐4‐amino‐3,5‐bis(1‐hydroxyethyl)‐1,2,4‐triazole and (S,S)‐1,2‐bis(2‐hydroxypropionyl)hydrazine, C6H12N4O2·C6H12N2O4, has tetragonal symmetry. All eight O‐ and N‐bound H atoms are involved in intermolecular hydrogen bonds, resulting in infinite zigzag chains of the triazole molecules, with the hydrazine molecules filling the gaps between the chains and completing a three‐dimensional hydrogen‐bonded array. 相似文献
3.
Ove Alexander Hgmoen strand Zeshan Iqbal Marcel Sandberg Eili T. Kase Carl Henrik Grbitz Pl Rongved 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(6):647-650
(2S,3S)‐2,6‐Dimethylheptane‐1,3‐diol, C9H20O2, (I), was synthesized from the ketone (R)‐4‐benzyl‐3‐[(2R,3S)‐3‐hydroxy‐2,6‐dimethylheptanoyl]‐1,3‐oxazolidin‐2‐one, C19H27NO4, (II), containing C atoms of known chirality. In both structures, strong hydrogen bonds between the hydroxy groups form tape motifs. The contribution from weaker C—H...O hydrogen bonds is much more evident in the structure of (II), which furthermore contains an example of a direct short Osp3...Csp2 contact that represents a usually unrecognized type of intermolecular interaction. 相似文献
4.
Jaime Vzquez Sylvain Berns Ruth Melndrez Roberto Portillo Ren Gutirrez 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m424-m427
The title compounds, trans‐dichlorobis[(1R,2R,3R,5S)‐(−)‐2,6,6‐trimethylbicyclo[3.1.1]heptan‐3‐amine]palladium(II), [PdCl2(C10H19N)2], and trans‐dichlorobis[(1S,2S,3S,5R)‐(+)‐2,6,6‐trimethylbicyclo[3.1.1]heptan‐3‐amine]palladium(II) hemihydrate, [PdCl2(C10H19N)2]·0.5H2O, present different arrangements of the amine ligands coordinated to PdII, viz. antiperiplanar in the former case and (−)anticlinal in the latter. The hemihydrate is an inclusion compound, with a Pd coordination complex and disordered water molecules residing on crystallographic twofold axes. The crystal structure for the hemihydrate includes a short Pd⋯Pd separation of 3.4133 (13) Å. 相似文献
5.
Andrzej Gzella Maria D. Rozwadowska 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):981-982
The absolute configuration of the title compound, alternatively called (+)‐(4,5‐dihydro‐2,5‐diphenyloxazol‐4‐yl)methanol, C16H15NO2, has been confirmed as 4S,5S. The hydroxymethyl group and phenyl ring at the asymmetric C atoms exhibit β and α orientations, respectively. The exocyclic C—C bonds at the asymmetric C atoms are mutually anticlinal (?ac). The hydroxyl group and the N atom of the oxazoline ring are involved in an intermolecular hydrogen bond leading to chains of molecules. 相似文献
6.
Urs D. Wermuth Graham Smith Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):o353-o357
The structures of two brucinium (2,3‐dimethoxy‐10‐oxostrychnidinium) salts of the α‐hydroxy acids l ‐malic acid and l ‐tartaric acid, namely brucinium hydrogen (S)‐malate pentahydrate, C23H27N2O4+·C4H5O5−·5H2O, (I), and anhydrous brucinium hydrogen (2R,3R)‐tartrate, C23H27N2O4+·C4H5O6−,(II), have been determined at 130 K. Compound (I) has two brucinium cations, two hydrogen malate anions and ten water molecules of solvation in the asymmetric unit, and forms an extensively hydrogen‐bonded three‐dimensional framework structure. In compound (II), the brucinium cations form the common undulating brucine sheet substructures, which accommodate parallel chains of head‐to‐tail hydrogen‐bonded tartrate anion species in the interstitial cavities. 相似文献
7.
Thais C. M. Nogueira Alessandra C. Pinheiro James L. Wardell Marcus V. N. de Souza Jordan P. Abberley William T A Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(8):647-652
Oxazolidin‐2‐ones are widely used as protective groups for 1,2‐amino alcohols and chiral derivatives are employed as chiral auxiliaries. The crystal structures of four differently substituted oxazolidinecarbohydrazides, namely N′‐[(E)‐benzylidene]‐N‐methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C12H12N3O3, (I), N′‐[(E)‐2‐chlorobenzylidene]‐N‐methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C12H12ClN3O3, (II), (4S)‐N′‐[(E)‐4‐chlorobenzylidene]‐N‐methyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C12H12ClN3O3, (III), and (4S)‐N′‐[(E)‐2,6‐dichlorobenzylidene]‐N,3‐dimethyl‐2‐oxo‐1,3‐oxazolidine‐4‐carbohydrazide, C13H13Cl2N3O3, (IV), show that an unexpected mild‐condition racemization from the chiral starting materials has occurred in (I) and (II). In the extended structures, the centrosymmetric phases, which each crystallize with two molecules (A and B) in the asymmetric unit, form A+B dimers linked by pairs of N—H...O hydrogen bonds, albeit with different O‐atom acceptors. One dimer is composed of one molecule with an S configuration for its stereogenic centre and the other with an R configuration, and possesses approximate local inversion symmetry. The other dimer consists of either R,R or S,S pairs and possesses approximate local twofold symmetry. In the chiral structure, N—H...O hydrogen bonds link the molecules into C(5) chains, with adjacent molecules related by a 21 screw axis. A wide variety of weak interactions, including C—H...O, C—H...Cl, C—H...π and π–π stacking interactions, occur in these structures, but there is little conformity between them. 相似文献
8.
Jorge Trilleras John N. Low Justo Cobo Antonio Marchal Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):o145-o148
The pyrimidine rings in ethyl (E)‐3‐[2‐amino‐4,6‐bis(dimethylamino)pyrimidin‐5‐yl]‐2‐cyanoacrylate, C14H20N6O2, (I), and 2‐[(2‐amino‐4,6‐di‐1‐piperidylpyrimidin‐5‐yl)methylene]malononitrile, C18H23N7, (II), which crystallizes with Z′ = 2 in the space group, are both nonplanar with boat conformations. The molecules of (I) are linked by a combination of N—H...N and N—H...O hydrogen bonds into chains of edge‐fused R22(8) and R44(20) rings, while the two independent molecules in (II) are linked by four N—H...N hydrogen bonds into chains of edge‐fused R22(8) and R22(20) rings. This study illustrates both the readiness with which highly‐substituted pyrimidine rings can be distorted from planarity and the significant differences between the supramolecular aggregation in two rather similar compounds. 相似文献
9.
Jin‐Ju Nie Yan‐Tuan Li Zhi‐Yong Wu Xiao‐Wen Li Cui‐Wei Yan 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m323-m326
The title complex, {[Cu2(C14H16N3O4)(C6H6N4S2)]NO3·0.6H2O}n, is a one‐dimensional copper(II) coordination polymer bridged by cis‐oxamide and carboxylate groups. The asymmetric unit is composed of a dinuclear copper(II) cation, [Cu2(dmapob)(dabt)]+ {dmapob is N‐(2‐carboxylatophenyl)‐N′‐[3‐(dimethylamino)propyl]oxamidate and dabt is 2,2′‐diamino‐4,4′‐bithiazole}, one nitrate anion and one partially occupied site for a solvent water molecule. The two CuII ions are located in square‐planar and square‐pyramidal coordination environments, respectively. The separations of the Cu atoms bridged by oxamide and carboxylate groups are 5.2053 (3) and 5.0971 (4) Å, respectively. The complex chains are linked by classical hydrogen bonds to form a layer and then assembled by π–π stacking interactions into a three‐dimensional network. The influence of the terminal ligand on the structure of the complex is discussed. 相似文献
10.
Anna Doga Katarzyna Baranowska Agnieszka Pladzyk Katarzyna Majcher 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(7):m259-m263
The complexes [2‐(1H‐imidazol‐4‐yl‐κN3)ethylamine‐κN]bis(tri‐tert‐butoxysilanethiolato‐κS)cobalt(II), [Co(C12H27O3SSi)2(C5H9N3)], and [2‐(1H‐imidazol‐4‐yl‐κN3)ethylamine‐κN]bis(tri‐tert‐butoxysilanethiolato‐κS)zinc(II), [Zn(C12H27O3SSi)2(C5H9N3)], are isomorphous. The central ZnII/CoII ions are surrounded by two S atoms from the tri‐tert‐butoxysilanethiolate ligand and by two N atoms from the chelating histamine ligand in a distorted tetrahedral geometry, with two intramolecular N—H...O hydrogen‐bonding interactions between the histamine NH2 groups and tert‐butoxy O atoms. Molecules of the complexes are joined into dimers via two intermolecular bifurcated N—H...(S,O) hydrogen bonds. The ZnII atom in [(1H‐imidazol‐4‐yl‐κN3)methanol]bis(tri‐tert‐butoxysilanethiolato‐κ2O,S)zinc(II), [Zn(C12H27O3SSi)2(C4H6N2O)], is five‐coordinated by two O and two S atoms from the O,S‐chelating silanethiolate ligand and by one N atom from (1H‐imidazol‐4‐yl)methanol; the hydroxy group forms an intramolecular hydrogen bond with sulfur. Molecules of this complex pack as zigzag chains linked by N—H...O hydrogen bonds. These structures provide reference details for cysteine‐ and histidine‐ligated metal centers in proteins. 相似文献
11.
Jie‐Ying Wu Suchada Chantrapromma Dong‐Wen Chen Yu‐Peng Tian Ping Yang Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):523-525
The tetradentate N2S2 Schiff base ligand 3,3′‐[2,2′‐(ethylenedioxy)dibenzylidene]bis(S‐methyl dithiocarbazate) (H2L), prepared by the condensation of S‐methyl dithiocarbazate with 1,4‐bis(2‐formylphenyl)‐1,4‐dioxabutane in a 1:2 molar ratio, reacts with nickel acetate to form the title neutral metal complex, [Ni(C20H20N4O2S4)]. The X‐ray structure of the complex shows a distorted square‐planar geometry around the Ni atom. The monomeric units are weakly associated into dimers via a long Ni?S interaction [3.569 (1) Å]. These dimeric units are then linked by C—H?S intermolecular contacts to form a polymeric chain along the a axis. 相似文献
12.
Cocrystallization and configurations of myo‐inositol‐1,2‐l‐camphor acetals in two crystal structures
Graeme J. Gainsford Sylvia M. Baars Andrew Falshaw 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o169-o172
The inositol rings in (1S,2R,3R,4S,5S,6R,7S,8S,11S)‐myo‐inositol‐1,2‐camphor acetal {systematic name: (1R,2S,3S,4R,5S,6R)‐5,6‐[(1S,2S,4S)‐1,7,7‐trimethylbicyclo[2.2.1]heptane‐2,2‐diyldioxy]cyclohexane‐1,2,3,4‐tetrol}, C16H26O6, and (1R,2S,3S,4R,5R,6S,7R/S,8S,11S)‐myo‐inositol‐1,2‐camphor acetal trihydrate {systematic name: (1S,2R,3R,4S,5R,6S)‐5,6‐[(1S,4S,6R/S)‐1,7,7‐trimethylbicyclo[2.2.1]heptane‐2,2‐diyldioxy]cyclohexane‐1,2,3,4‐tetrol trihydrate}, C16H26O6·3H2O, adopt flattened chair conformations with the latter crystal containing two stereoisomers in a 0.684 (2):0.316 (2) ratio, similar to that found both in solution and by calculation. Both molecules pack in the crystals in similar two‐dimensional layers, utilizing strong O—H⋯O hydrogen bonds, with the trihydrate cell expanded to incorporate the additional hydrogen‐bonded water molecules. 相似文献
13.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(6):659-665
3,5‐Bis(arylidene)piperidin‐4‐one derivatives (BAPs) display good antitumour activity because of their double α,β‐unsaturated ketone structural characteristics. Reported BAPs have generally been symmetric and asymmetric BAPs have been little documented. Three asymmetric BAPs, namely (5E)‐3‐(4‐tert‐butylbenzylidene)‐5‐(4‐fluorobenzylidene)‐1‐methylpiperidin‐4‐one, C24H26FNO, ( 5 ), (5E)‐3‐(4‐tert‐butylbenzylidene)‐5‐(3,5‐dimethoxybenzylidene)‐1‐methylpiperidin‐4‐one, C26H31NO3, ( 6 ), and (5E)‐3‐{3‐[(E)‐(2,3‐dihydroxybenzylidene)amino]benzylidene}‐5‐(2‐fluorobenzylidene)‐1‐methylpiperidin‐4‐one, C27H23FN2O3, ( 12 ), were generated by Claisen–Schmidt condensation. They are characterized by NMR and FT–IR spectroscopies, and elemental analysis. Single‐crystal structure analysis reveals that the two arylidene rings on both sides of the BAP structures adopt an E stereochemistry of the olefinic double bonds and the compounds are E,E isomers. Molecules of ( 5 ) and ( 12 ) generate one‐dimensional chains through intermolecular hydrogen bonds, while compound ( 6 ) generates a two‐dimensional network through hydrogen bonds. Preliminary cytotoxicities toward human liver hepatocellular carcinoma cell line (HepG2), human acute mononuclear granulocyte leukaemia (THP‐1) and human normal hepatical cell line (LO2) were evaluated. 相似文献
14.
Krishnan Ravikumar Balasubramanian Sridhar Jagadeesh Babu Nanubolu Tamilselvan Rajasekaran Basi Venkata Subba Reddy 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(4):322-329
Four structures of oxoindolyl α‐hydroxy‐β‐amino acid derivatives, namely, methyl 2‐{3‐[(tert‐butoxycarbonyl)amino]‐1‐methyl‐2‐oxoindolin‐3‐yl}‐2‐methoxy‐2‐phenylacetate, C24H28N2O6, (I), methyl 2‐{3‐[(tert‐butoxycarbonyl)amino]‐1‐methyl‐2‐oxoindolin‐3‐yl}‐2‐ethoxy‐2‐phenylacetate, C25H30N2O6, (II), methyl 2‐{3‐[(tert‐butoxycarbonyl)amino]‐1‐methyl‐2‐oxoindolin‐3‐yl}‐2‐[(4‐methoxybenzyl)oxy]‐2‐phenylacetate, C31H34N2O7, (III), and methyl 2‐[(anthracen‐9‐yl)methoxy]‐2‐{3‐[(tert‐butoxycarbonyl)amino]‐1‐methyl‐2‐oxoindolin‐3‐yl}‐2‐phenylacetate, C38H36N2O6, (IV), have been determined. The diastereoselectivity of the chemical reaction involving α‐diazoesters and isatin imines in the presence of benzyl alcohol is confirmed through the relative configuration of the two stereogenic centres. In esters (I) and (III), the amide group adopts an anti conformation, whereas the conformation is syn in esters (II) and (IV). Nevertheless, the amide group forms intramolecular N—H...O hydrogen bonds with the ester and ether O atoms in all four structures. The ether‐linked substituents are in the extended conformation in all four structures. Ester (II) is dominated by intermolecular N—H...O hydrogen‐bond interactions. In contrast, the remaining three structures are sustained by C—H...O hydrogen‐bond interactions. 相似文献
15.
Anthony Linden Tushar S. Basu Baul 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(4):313-325
The diorganotin(IV) complexes of 5‐[(E)‐2‐aryldiazen‐1‐yl]‐2‐hydroxybenzoic acid are of interest because of their structural diversity in the crystalline state and their interesting biological activity. The structures of dimethylbis{2‐hydroxy‐5‐[(E)‐2‐(4‐methylphenyl)diazen‐1‐yl]benzoato}tin(IV), [Sn(CH3)2(C14H11N2O3)2], and di‐n‐butylbis{2‐hydroxy‐5‐[(E)‐2‐(4‐methylphenyl)diazen‐1‐yl]benzoato}tin(IV) benzene hemisolvate, [Sn(C4H9)2(C14H11N2O3)2]·0.5C6H6, exhibit the usual skew‐trapezoidal bipyramidal coordination geometry observed for related complexes of this class. Each structure has two independent molecules of the SnIV complex in the asymmetric unit. In the dimethyltin structure, intermolecular O—H…O hydrogen bonds and a very weak Sn…O interaction link the independent molecules into dimers. The planar carboxylate ligands lend themselves to π–π stacking interactions and the diversity of supramolecular structural motifs formed by these interactions has been examined in detail for these two structures and four closely related analogues. While there are some recurring basic motifs amongst the observed stacking arrangements, such as dimers and step‐like chains, variations through longitudinal slipping and inversion of the direction of the overlay add complexity. The π–π stacking motifs in the two title complexes are combinations of some of those observed in the other structures and are the most complex of the structures examined. 相似文献
16.
Diana Becerra Braulio Insuasty Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(2):o79-o86
The molecules of racemic 3‐benzoylmethyl‐3‐hydroxyindolin‐2‐one, C16H13NO3, (I), are linked by a combination of N—H...O and O—H...O hydrogen bonds into a chain of centrosymmetric edge‐fused R22(10) and R44(12) rings. Five monosubstituted analogues of (I), namely racemic 3‐hydroxy‐3‐[(4‐methylbenzoyl)methyl]indolin‐2‐one, C17H15NO3, (II), racemic 3‐[(4‐fluorobenzoyl)methyl]‐3‐hydroxyindolin‐2‐one, C16H12FNO3, (III), racemic 3‐[(4‐chlorobenzoyl)methyl]‐3‐hydroxyindolin‐2‐one, C16H12ClNO3, (IV), racemic 3‐[(4‐bromobenzoyl)methyl]‐3‐hydroxyindolin‐2‐one, C16H12BrNO3, (V), and racemic 3‐hydroxy‐3‐[(4‐nitrobenzoyl)methyl]indolin‐2‐one, C16H12N2O5, (VI), are isomorphous in space group P. In each of compounds (II)–(VI), a combination of N—H...O and O—H...O hydrogen bonds generates a chain of centrosymmetric edge‐fused R22(8) and R22(10) rings, and these chains are linked into sheets by an aromatic π–π stacking interaction. No two of the structures of (II)–(VI) exhibit the same combination of weak hydrogen bonds of C—H...O and C—H...π(arene) types. The molecules of racemic 3‐hydroxy‐3‐(2‐thienylcarbonylmethyl)indolin‐2‐one, C14H11NO3S, (VII), form hydrogen‐bonded chains very similar to those in (II)–(VI), but here the sheet formation depends upon a weak π–π stacking interaction between thienyl rings. Comparisons are drawn between the crystal structures of compounds (I)–(VII) and those of some recently reported analogues having no aromatic group in the side chain. 相似文献
17.
Wei Yang Qiang Fu Jing Zhao Huan‐Ren Cheng Yao‐Cheng Shi 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(6):528-532
The title compounds with terminal N‐heterocyclic carbenes, namely octacarbonyl(imidazolidinylidene‐κC2)di‐μ3‐sulfido‐triiron(II)(2 Fe—Fe), [Fe3(C3H6N2)(μ3‐S)2(CO)8], (I), and octacarbonyl(1‐methylimidazo[1,5‐a]pyridin‐3‐ylidene‐κC3)di‐μ3‐sulfido‐triiron(II)(2 Fe—Fe), [Fe3(C8H8N2)(μ3‐S)2(CO)8], (II), have been synthesized. Each compound contains two Fe—Fe bonds and two S atoms above and below a triiron triangle. One of the eight carbonyl ligands deviates significantly from linearity. In (I), dimers generated by an N—H...S hydrogen bond are linked into [001] double chains by a second N—H...S hydrogen bond. These chains are packed by a C—H...O hydrogen bond to yield [101] sheets. In (II), dimers generated by an N—H...S hydrogen bond are linked by C—H...O hydrogen bonds to form [111] double chains. 相似文献
18.
Yao‐Cheng Shi Su‐Hua Zhang Hong‐Jian Cheng Wei‐Ping Sun 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m407-m410
The title compounds, both [Fe(C5H5)(C15H14NO2)], crystallize with Z′ = 2 in the centrosymmetric space group P. In each compound, there is an intramolecular N—H⋯O=C hydrogen bond, and pairs of intermolecular O—H⋯O=C hydrogen bonds link the molecules into chains, parallel to [10] in the 3‐hydroxy compound and parallel to [10] in the 4‐hydroxy compound. 相似文献
19.
Julio Gutierrez Rodney Eisenberg Gabrielle Herrensmith Thomas Tobin Tonglei Li Sihui Long 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(8):o310-o314
The structures of orthorhombic (E)‐4‐(2‐{[amino(iminio)methyl]amino}vinyl)‐3,5‐dichlorophenolate dihydrate, C8H8Cl2N4O·2H2O, (I), triclinic (E)‐4‐(2‐{[amino(iminio)methyl]amino}vinyl)‐3,5‐dichlorophenolate methanol disolvate, C8H8Cl2N4O·2CH4O, (II), and orthorhombic (E)‐amino[(2,6‐dichloro‐4‐hydroxystyryl)amino]methaniminium acetate, C8H9Cl2N4O+·C2H3O2−, (III), all crystallize with one formula unit in the asymmetric unit, with the molecule in an E configuration and the phenol H atom transferred to the guanidine N atom. Although the molecules of the title compounds form extended chains via hydrogen bonding in all three forms, owing to the presence of different solvent molecules, those chains are connected differently in the individual forms. In (II), the molecules are all coplanar, while in (I) and (III), adjacent molecules are tilted relative to one another to varying degrees. Also, because of the variation in hydrogen‐bond‐formation ability of the solvents, the hydrogen‐bonding arrangements vary in the three forms. 相似文献
20.
Eleonora Freire Griselda Polla Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(2):186-190
The asymmetric unit of the title salt [systematic name: bis(4‐(2,3‐dichlorophenyl)‐1‐{4‐[(2‐oxo‐1,2,3,4‐tetrahydroquinolin‐7‐yl)oxy]butyl}piperazin‐1‐ium) oxalate–oxalic acid (1/1)], 2C23H28Cl2N3O2+·C2O42−·C2H2O4, consists of one protonated aripiprazole unit (HArip+), half an oxalate dianion and half an oxalic acid molecule, the latter two lying on inversion centres. The conformation of the HArip+ cation differs from that in other reported salts and resembles more the conformation of neutral Arip units in reported polymorphs and solvates. The intermolecular interaction linking HArip+ cations is also similar to those in reported Arip compounds crystallizing in the space group P, with head‐to‐head N—H...O hydrogen bonds generating centrosymmetric dimers, which are further organized into planar ribbons parallel to (01). The oxalate anions and oxalic acid molecules form hydrogen‐bonded chains running along [010], which `pierce' the planar ribbons, interacting with them through a number of stronger N—H...O and weaker C—H...O hydrogen bonds, forming a three‐dimensional network. 相似文献