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1.
Graham Smith 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(3):315-319
The structures of ammonium 3,5‐dinitrobenzoate, NH4+·C7H3N2O6−, (I), ammonium 4‐nitrobenzoate dihydrate, NH4+·C7H4NO4−·2H2O, (II), and ammonium 2,4‐dichlorobenzoate hemihydrate, NH4+·C7H3Cl2O2−·0.5H2O, (III), have been determined and their hydrogen‐bonded structures are described. All three salts form hydrogen‐bonded polymeric structures, viz. three‐dimensional in (I) and two‐dimensional in (II) and (III). With (I), a primary cation–anion cyclic association is formed [graph set R43(10)] through N—H...O hydrogen bonds, involving a carboxylate group with both O atoms contributing to the hydrogen bonds (denoted O,O′‐carboxylate) on one side and a carboxylate group with one O atom involved in two hydrogen bonds (denoted O‐carboxylate) on the other. Structure extension involves N—H...O hydrogen bonds to both carboxylate and nitro O‐atom acceptors. With structure (II), the primary inter‐species interactions and structure extension into layers lying parallel to (001) are through conjoined cyclic hydrogen‐bonding motifs, viz.R43(10) (one cation, an O,O′‐carboxylate group and two water molecules) and centrosymmetric R42(8) (two cations and two water molecules). The structure of (III) also has conjoined R43(10) and centrosymmetric R42(8) motifs in the layered structure but these differ in that the first motif involves one cation, an O,O′‐carboxylate group, an O‐carboxylate group and one water molecule, and the second motif involves two cations and two O‐carboxylate groups. The layers lie parallel to (100). The structures of salt hydrates (II) and (III), displaying two‐dimensional layered arrays through conjoined hydrogen‐bonded nets, provide further illustration of a previously indicated trend among ammonium salts of carboxylic acids, but the anhydrous three‐dimensional structure of (I) is inconsistent with that trend. 相似文献
2.
Yasunori Muranishi Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m578-m580
trans‐Diaquabis(isoquinoline‐1‐carboxylato‐κ2N,O)cobalt(II) dihydrate, [Co(C10H6NO2)2(H2O)2]·2H2O, and trans‐diaquabis(isoquinoline‐1‐carboxylato‐κ2N,O)nickel(II) dihydrate, [Ni(C10H6NO2)2(H2O)2]·2H2O, contain the same isoquinoline ligand, with both metal atoms residing on a centre of symmetry and having the same distorted octahedral coordination. In the former complex, the Co—O(water) bond length in the axial direction is 2.167 (2) Å, which is longer than the Co—O(carboxylate) and Co—N bond lengths in the equatorial plane [2.055 (2) and 2.096 (2) Å, respectively]. In the latter complex, the corresponding bond lengths for Ni—O(water), Ni—O(carboxylate) and Ni—N are 2.127 (2), 2.036 (2) and 2.039 (3) Å, respectively. Both crystals are stabilized by similar stacking interactions of the ligand, and also by hydrogen bonds between the hydrate and coordinated water molecules. 相似文献
3.
Graham Smith Urs D. Wermuth David J. Young Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):o123-o127
The structures of the anhydrous 1:1 proton‐transfer compounds of the dye precursor aniline yellow [4‐(phenyldiazenyl)aniline], namely isomeric 4‐(phenyldiazenyl)anilinium 2‐carboxy‐6‐nitrobenzoate, C12H12N3+·C8H4NO6−, (I), and 4‐(phenyldiazenyl)anilinium 2‐carboxy‐4‐nitrobenzoate, C12H12N3+·C8H4NO6−, (II), and 4‐(phenyldiazenyl)anilinium 3‐carboxy‐5‐nitrobenzoate monohydrate, C12H12N3+·C8H4NO6−·H2O, (III), have been determined at 130 K. In (I) the cation has longitudinal rotational disorder. All three compounds have substructures comprising backbones formed through strong head‐to‐tail carboxyl–carboxylate hydrogen‐bond interactions [graph set C(7) in (I) and (II), and C(8) in (III)]. Two‐dimensional sheet structures are formed in all three compounds by the incorporation of the 4‐(phenyldiazenyl)anilinium cations into the substructures, including, in the cases of (I) and (II), infinite H—N—H to carboxylate O—C—O group interactions [graph set C(6)], and in the case of (III), bridging through the water molecule of solvation. The peripheral alternating aromatic ring residues of both cations and anions give only weakly π‐interactive step features which lie between the sheets. 相似文献
4.
Kaliyaperumal Thanigaimani Periasamy Devi Packianathan Thomas Muthiah Daniel E. Lynch Ray J. Butcher 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(7):o324-o328
In 2,4‐diamino‐6‐methyl‐1,3,5‐triazin‐1‐ium (acetoguanaminium) hydrogen phthalate, C4H8N5+·C8H5O4−, (I), acetoguanaminium hydrogen maleate, C4H8N5+·C4H3O4−, (II), and acetoguanaminium 3‐hydroxypicolinate monohydrate, C4H8N5+·C6H4NO3−·H2O, (III), the acetoguanaminium cations interact with the carboxylate groups of the corresponding anions via a pair of nearly parallel N—H...O hydrogen bonds, forming R22(8) ring motifs. In (II) and (III), N—H...N base‐pairing is observed, while there is none in (I). In (II), a series of fused R32(8), R22(8) and R32(8) hydrogen‐bonded rings plus fused R22(8), R62(12) and R22(8) ring motifs occur alternately, aggregating into a supramolecular ladder‐like arrangement. In (III), R22(8) motifs occur on either side of a further ring formed by pairs of N—H...O hydrogen bonds, forming an array of three fused hydrogen‐bonded rings. In (I) and (II), the anions form a typical intramolecular O—H...O hydrogen bond with graph set S(7), whereas in (III) an intramolecular hydrogen bond with graph set S(6) is formed. 相似文献
5.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(4):487-503
Nine salts of the antifolate drugs trimethoprim and pyrimethamine, namely, trimethoprimium [or 2,4‐diamino‐5‐(3,4,5‐trimethoxybenzyl)pyrimidin‐1‐ium] 2,5‐dichlorothiophene‐3‐carboxylate monohydrate (TMPDCTPC, 1:1), C14H19N4O3+·C5HCl2O2S−, ( I ), trimethoprimium 3‐bromothiophene‐2‐carboxylate monohydrate, (TMPBTPC, 1:1:1), C14H19N4O3+·C5H2BrO2S−·H2O, ( II ), trimethoprimium 3‐chlorothiophene‐2‐carboxylate monohydrate (TMPCTPC, 1:1:1), C14H19N4O3+·C5H2ClO2S−·H2O, ( III ), trimethoprimium 5‐methylthiophene‐2‐carboxylate monohydrate (TMPMTPC, 1:1:1), C14H19N4O3+·C6H5O2S−·H2O, ( IV ), trimethoprimium anthracene‐9‐carboxylate sesquihydrate (TMPAC, 2:2:3), C14H19N4O3+·C15H9O2−·1.5H2O, ( V ), pyrimethaminium [or 2,4‐diamino‐5‐(4‐chlorophenyl)‐6‐ethylpyrimidin‐1‐ium] 2,5‐dichlorothiophene‐3‐carboxylate (PMNDCTPC, 1:1), C12H14ClN4+·C5HCl2O2S−, ( VI ), pyrimethaminium 5‐bromothiophene‐2‐carboxylate (PMNBTPC, 1:1), C12H14ClN4+·C5H2BrO2S−, ( VII ), pyrimethaminium anthracene‐9‐carboxylate ethanol monosolvate monohydrate (PMNAC, 1:1:1:1), C12H14ClN4+·C15H9O2−·C2H5OH·H2O, ( VIII ), and bis(pyrimethaminium) naphthalene‐1,5‐disulfonate (PMNNSA, 2:1), 2C12H14ClN4+·C10H6O6S22−, ( IX ), have been prepared and characterized by single‐crystal X‐ray diffraction. In all the crystal structures, the pyrimidine N1 atom is protonated. In salts ( I )–( III ) and ( VI )–( IX ), the 2‐aminopyrimidinium cation interacts with the corresponding anion via a pair of N—H…O hydrogen bonds, generating the robust R22(8) supramolecular heterosynthon. In salt ( IV ), instead of forming the R22(8) heterosynthon, the carboxylate group bridges two pyrimidinium cations via N—H…O hydrogen bonds. In salt ( V ), one of the carboxylate O atoms bridges the N1—H group and a 2‐amino H atom of the pyrimidinium cation to form a smaller R21(6) ring instead of the R22(8) ring. In salt ( IX ), the sulfonate O atoms mimic the role of carboxylate O atoms in forming an R22(8) ring motif. In salts ( II )–( IX ), the pyrimidinium cation forms base pairs via a pair of N—H…N hydrogen bonds, generating a ring motif [R22(8) homosynthon]. Compounds ( II ) and ( III ) are isomorphous. The quadruple DDAA (D = hydrogen‐bond donor and A = hydrogen‐bond acceptor) array is observed in ( I ). In salts ( II )–( IV ) and ( VI )–( IX ), quadruple DADA arrays are present. In salts ( VI ) and ( VII ), both DADA and DDAA arrays co‐exist. The crystal structures are further stabilized by π–π stacking interactions [in ( I ), ( V ) and ( VII )–( IX )], C—H…π interactions [in ( IV )–( V ) and ( VII )–( IX )], C—Br…π interactions [in ( II )] and C—Cl…π interactions [in ( I ), ( III ) and ( VI )]. Cl…O and Cl…Cl halogen‐bond interactions are present in ( I ) and ( VI ), with distances and angles of 3.0020 (18) and 3.5159 (16) Å, and 165.56 (10) and 154.81 (11)°, respectively. 相似文献
6.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o509-o511
In the title compound, 4‐iodoanilinium 2‐carboxy‐6‐nitrobenzoate, C6H7IN+·C8H4NO6−, the anions are linked by an O—H...O hydrogen bond [H...O = 1.78 Å, O...O = 2.614 (3) Å and O—H...O = 171°] into C(7) chains, and these chains are linked by two two‐centre N—H...O hydrogen bonds [H...O = 1.86 and 1.92 Å, N...O = 2.700 (3) and 2.786 (3) Å, and N—H...O = 153 and 158°] and one three‐centre N—H...(O)2 hydrogen bond [H...O = 2.02 and 2.41 Å, N...O = 2.896 (3) and 2.789 (3) Å, N—H...O = 162 and 105°, and O...H...O = 92°], thus forming sheets containing R(6), R(8), R(13) and R(18) rings. 相似文献
7.
Hiroshi Katagiri Masao Morimoto Kenichi Sakai 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(7):o357-o360
The structures of diastereomeric pairs consisting of (S)‐ and (R)‐2‐methylpiperazine with (2S,3S)‐tartaric acid are both 1:1 salts, namely (S)‐2‐methylpiperazinium (2S,3S)‐tartrate dihydrate, C5H14N22+·C4H4O62−·2H2O, (I), and (R)‐2‐methylpiperazinium (2S,3S)‐tartrate dihydrate, C5H14N22+·C4H4O62−·2H2O, (II), which reveal the formation of well defined ammonium carboxylate salts linked via strong intermolecular hydrogen bonds. Unlike the situation in the more soluble salt (II), the alternating columns of tartrate and ammonium ions of the less soluble salt (I) are packed neatly in a grid around the a axis, which incorporates water molecules at regular intervals. The increased efficiency of packing for (I) is evident in its lower `packing coefficient', and the hydrogen‐bond contribution is stronger in the more soluble salt (II). 相似文献
8.
Graham Smith Urs D. Wermuth 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(1):o5-o10
The 1:1 proton‐transfer compounds of l ‐tartaric acid with 3‐aminopyridine [3‐aminopyridinium hydrogen (2R,3R)‐tartrate dihydrate, C5H7N2+·C4H5O6−·2H2O, (I)], pyridine‐3‐carboxylic acid (nicotinic acid) [anhydrous 3‐carboxypyridinium hydrogen (2R,3R)‐tartrate, C6H6NO2+·C4H5O6−, (II)] and pyridine‐2‐carboxylic acid [2‐carboxypyridinium hydrogen (2R,3R)‐tartrate monohydrate, C6H6NO2+·C4H5O6−·H2O, (III)] have been determined. In (I) and (II), there is a direct pyridinium–carboxyl N+—H...O hydrogen‐bonding interaction, four‐centred in (II), giving conjoint cyclic R12(5) associations. In contrast, the N—H...O association in (III) is with a water O‐atom acceptor, which provides links to separate tartrate anions through Ohydroxy acceptors. All three compounds have the head‐to‐tail C(7) hydrogen‐bonded chain substructures commonly associated with 1:1 proton‐transfer hydrogen tartrate salts. These chains are extended into two‐dimensional sheets which, in hydrates (I) and (III) additionally involve the solvent water molecules. Three‐dimensional hydrogen‐bonded structures are generated via crosslinking through the associative functional groups of the substituted pyridinium cations. In the sheet struture of (I), both water molecules act as donors and acceptors in interactions with separate carboxyl and hydroxy O‐atom acceptors of the primary tartrate chains, closing conjoint cyclic R44(8), R34(11) and R33(12) associations. Also, in (II) and (III) there are strong cation carboxyl–carboxyl O—H...O hydrogen bonds [O...O = 2.5387 (17) Å in (II) and 2.441 (3) Å in (III)], which in (II) form part of a cyclic R22(6) inter‐sheet association. This series of heteroaromatic Lewis base–hydrogen l ‐tartrate salts provides further examples of molecular assembly facilitated by the presence of the classical two‐dimensional hydrogen‐bonded hydrogen tartrate or hydrogen tartrate–water sheet substructures which are expanded into three‐dimensional frameworks via peripheral cation bifunctional substituent‐group crosslinking interactions. 相似文献
9.
Graham Smith Urs D. Wermuth Jonathan M. White 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(3):o180-o183
The structures of the 1:1 proton‐transfer compounds of 4,5‐dichlorophthalic acid with 8‐hydroxyquinoline, 8‐aminoquinoline and quinoline‐2‐carboxylic acid (quinaldic acid), namely anhydrous 8‐hydroxyquinolinium 2‐carboxy‐4,5‐dichlorobenzoate, C9H8NO+·C8H3Cl2O4−, (I), 8‐aminoquinolinium 2‐carboxy‐4,5‐dichlorobenzoate, C9H9N2+·C8H3Cl2O4−, (II), and the adduct hydrate 2‐carboxyquinolinium 2‐carboxy‐4,5‐dichlorobenzoate quinolinium‐2‐carboxylate monohydrate, C10H8NO2+·C8H3Cl2O4−·C10H7NO2·H2O, (III), have been determined at 130 K. Compounds (I) and (II) are isomorphous and all three compounds have one‐dimensional hydrogen‐bonded chain structures, formed in (I) through O—H...Ocarboxyl extensions and in (II) through N+—H...Ocarboxyl extensions of cation–anion pairs. In (III), a hydrogen‐bonded cyclic R22(10) pseudo‐dimer unit comprising a protonated quinaldic acid cation and a zwitterionic quinaldic acid adduct molecule is found and is propagated through carboxylic acid O—H...Ocarboxyl and water O—H...Ocarboxyl interactions. In both (I) and (II), there are also cation–anion aromatic ring π–π associations. This work further illustrates the utility of both hydrogen phthalate anions and interactive‐group‐substituted quinoline cations in the formation of low‐dimensional hydrogen‐bonded structures. 相似文献
10.
Lusbely M. Belandria Asilo J. Mora Gerzon E. Delgado Alexander Briceo 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(2):o88-o91
The title salt, C6H12NO2+·C6H7O4− or ISO+·CBDC−, is an ionic ensemble assisted by hydrogen bonds. The amino acid moiety (ISO or piperidine‐4‐carboxylic acid) has a protonated ring N atom (ISO+ or 4‐carboxypiperidinium), while the semi‐protonated acid (CBDC− or 1‐carboxycyclobutane‐1‐carboxylate) has the negative charge residing on one carboxylate group, leaving the other as a neutral –COOH group. The –+NH2– state of protonation allows the formation of a two‐dimensional crystal packing consisting of zigzag layers stacked along a separated by van der Waals distances. The layers extend in the bc plane connected by a complex network of N—H...O and O—H...O hydrogen bonds. Wave‐like ribbons, constructed from ISO+ and CBDC− units and described by the graph‐set symbols C33(10) and R33(14), run alternately in opposite directions along c. Intercalated between the ribbons are ISO+ cations linked by hydrogen bonds, forming rings described by the graph‐set symbols R66(30) and R42(18). A detailed analysis of the structures of the individual components and the intricate hydrogen‐bond network of the crystal structure is given. 相似文献
11.
Ammasai Karthikeyan Robert Swinton Darious Packianathan Thomas Muthiah Franc Perdih 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(11):985-990
Two novel cocrystals of the N(7)—H tautomeric form of N6‐benzoyladenine (BA), namely N6‐benzoyladenine–3‐hydroxypyridinium‐2‐carboxylate (3HPA) (1/1), C12H9N5O·C6H5NO3, (I), and N6‐benzoyladenine–DL‐tartaric acid (TA) (1/1), C12H9N5O·C4H6O6, (II), are reported. In both cocrystals, the N6‐benzoyladenine molecule exists as the N(7)—H tautomer, and this tautomeric form is stabilized by intramolecular N—H...O hydrogen bonding between the benzoyl C=O group and the N(7)—H hydrogen on the Hoogsteen site of the purine ring, forming an S(7) motif. The dihedral angle between the adenine and phenyl planes is 0.94 (8)° in (I) and 9.77 (8)° in (II). In (I), the Watson–Crick face of BA (N6—H and N1; purine numbering) interacts with the carboxylate and phenol groups of 3HPA through N—H...O and O—H...N hydrogen bonds, generating a ring‐motif heterosynthon [graph set R22(6)]. However, in (II), the Hoogsteen face of BA (benzoyl O atom and N7; purine numbering) interacts with TA (hydroxy and carbonyl O atoms) through N—H...O and O—H...O hydrogen bonds, generating a different heterosynthon [graph set R22(4)]. Both crystal structures are further stabilized by π–π stacking interactions. 相似文献
12.
Samuel Robinson Jebas A. Sinthiya B. Ravindran Durai Nayagam Dieter Schollmeyer S. Alfred Cecil Raj 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(7):o361-o364
In the title compounds, 4‐aminopyridinium 4‐aminobenzoate dihydrate, C7H6NO2−·C5H7N2+·2H2O, (I), and 4‐aminopyridinium nicotinate, C5H7N2+·C6H4NO2−, (II), the aromatic N atoms of the 4‐aminopyridinium cations are protonated. In (I), the asymmetric unit is composed of two 4‐aminopyridinium cations, two 4‐aminobenzoate anions and four water molecules, and the compound crystallizes in a noncentrosymmetric space group. The two sets of independent molecules of (I) are related by a centre of symmetry which is not part of the space group. In (I), the protonated pyridinium ring H atoms are involved in bifurcated hydrogen bonding with carboxylate O atoms to form an R12(4) ring motif. The water molecules link the ions to form a two‐dimensional network along the (10) plane. In (II), an intramolecular bifurcated hydrogen bond generates an R12(4) ring motif and inter‐ion hydrogen bonding generates an R42(16) ring motif. The packing of adduct (II) is consolidated via N—H...O and N—H...N hydrogen bonds to form a two‐dimensional network along the (10) plane. 相似文献
13.
Takeo Fukunaga Setsuo Kashino Hiroyuki Ishida 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):o718-o722
Tartronic acid forms a hydrogen‐bonded complex, C5H5NO·C3H4O5, (I), with 2‐pyridone, while it forms acid salts, namely 3‐hydroxypyridinium hydrogen tartronate, (II), and 4‐hydroxypyridinium hydrogen tartronate, (III), both C5H6NO+·C3H3O5−, with 3‐hydroxypyridine and 4‐hydroxypyridine, respectively. In (I), the pyridone molecules and the acid molecules form R(8) and R(10) hydrogen‐bonded rings, respectively, around the inversion centres. In (II) and (III), the cations and anions are linked by N—H⋯O and O—H⋯O hydrogen bonds to form a hydrogen‐bonded chain. In each of (I), (II) and (III), an intermolecular hydrogen bond is formed between a carboxyl group and the hydroxyl group attached to the central C atom, and in (I), the hydroxyl group participates in an intramolecular hydrogen bond with a carbonyl group. No intermolecular hydrogen bond is formed between the carboxyl groups in (I), or between the carboxyl and carboxylate groups in (II) and (III). 相似文献
14.
Graham Smith Daniel E. Lynch 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(2):105-111
The morpholinium (tetrahydro‐2H‐1,4‐oxazin‐4‐ium) cation has been used as a counter‐ion in both inorganic and organic salt formation and particularly in metal complex stabilization. To examine the influence of interactive substituent groups in the aromatic rings of benzoic acids upon secondary structure generation, the anhydrous salts of morpholine with salicylic acid, C4H10NO+·C7H5O3−, (I), 3,5‐dinitrosalicylic acid, C4H10NO+·C7H3N2O7−, (II), 3,5‐dinitrobenzoic acid, C4H10NO+·C7H3N2O6−, (III), and 4‐nitroanthranilic acid, C4H10NO+·C7H5N2O4−, (IV), have been prepared and their hydrogen‐bonded crystal structures are described. In the crystal structures of (I), (III) and (IV), the cations and anions are linked by moderately strong N—H…Ocarboxyl hydrogen bonds, but the secondary structure propagation differs among the three, viz. one‐dimensional chains extending along [010] in (I), a discrete cyclic heterotetramer in (III), and in (IV), a heterotetramer with amine N—H…O hydrogen‐bond extensions along b, giving a two‐layered ribbon structure. With the heterotetramers in both (III) and (IV), the ion pairs are linked though inversion‐related N—H…Ocarboxylate hydrogen bonds, giving cyclic R44(12) motifs. With (II), in which the anion is a phenolate rather than a carboxylate, the stronger assocation is through a symmetric lateral three‐centre cyclic R12(6) N—H…(O,O′) hydrogen‐bonding linkage involving the phenolate and nitro O‐atom acceptors of the anion, with extension through a weaker O—H…Ocarboxyl hydrogen bond. This results in a one‐dimensional chain structure extending along [100]. In the structures of two of the salts [i.e. (II) and (IV)], there are also π–π ring interactions, with ring‐centroid separations of 3.5516 (9) and 3.7700 (9) Å in (II), and 3.7340 (9) Å in (IV). 相似文献
15.
Kyle A. Powers David K. Geiger 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(3):329-335
The isostructural salts benzene‐1,2‐diaminium bis(pyridine‐2‐carboxylate), 0.5C6H10N22+·C6H4NO2?, (1), and 4,5‐dimethylbenzene‐1,2‐diaminium bis(pyridine‐2‐carboxylate), 0.5C8H14N22+·C6H4NO2?, (2), and the 1:2 benzene‐1,2‐diamine–benzoic acid cocrystal, 0.5C6H8N2·C7H6O2, (3), are reported. All of the compounds exhibit extensive N—H…O hydrogen bonding that results in interconnected rings. O—H…N hydrogen bonding is observed in (3). Additional π–π and C—H…π interactions are found in each compound. Hirshfeld and fingerprint plot analyses reveal the primary intermolecular interactions and density functional theory was used to calculate their strengths. Salt formation by (1) and (2), and cocrystallization by (3) are rationalized by examining pKa differences. The R22(9) hydrogen‐bonding motif is common to each of these structures. 相似文献
16.
Nada Kouti‐Hulita Miroslav
egarac 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o171-o173
In the crystal structure of (R)‐N,N‐diisopropyl‐3‐(2‐hydroxy‐5‐methylphenyl)‐3‐phenylpropylaminium (2R,3R)‐hydrogen tartrate, C22H32NO+·C4H5O6−, the hydrogen tartrate anions are linked by O—H⋯O hydrogen bonds to form helical chains built from (9) rings. These chains are linked by the tolterodine molecules via N—H⋯O and O—H⋯O hydrogen bonds to form separate sheets parallel to the (101) plane. 相似文献
17.
Kosuke Igawa Nobuto Yoshinari Takumi Konno 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(9):o332-o334
The asymmetric unit of the optically resolved title salt, C8H12N+·C4H5O4S−, contains a 1‐phenylethanaminium monocation and a thiomalate (3‐carboxy‐2‐sulfanylpropanoate) monoanion. The absolute configurations of the cation and the anion are determined to be S and R, respectively. In the crystal, cation–anion N—H...O hydrogen bonds, together with anion–anion O—H...O and S—H...O hydrogen bonds, construct a two‐dimensional supramolecular sheet parallel to the ab plane. The two‐dimensional sheet is linked with the upper and lower sheets through C—H...π interactions to stack along the c axis. 相似文献
18.
The title salts, 4‐chloroanilinium hydrogen phthalate (PCAHP), C6H7ClN+·C8H5O4−, 2‐hydroxyanilinium hydrogen phthalate (2HAHP), C6H8NO+·C8H5O4−, and 3‐hydroxyanilinium hydrogen phthalate (3HAHP), C6H8NO+·C8H5O4−, all crystallize in the space group P21/c. The asymmetric unit of 2HAHP contains two independent ion pairs. The hydrogen phthalate ions of 2HAHP and 3HAHP show a short intramolecular O—H...O hydrogen bond, with O...O distances ranging from 2.3832 (15) to 2.3860 (14) Å. N—H...O and O—H...O hydrogen bonds, together with short C—H...O contacts in PCAHP and 3HAHP, generate extended hydrogen‐bond networks. PCAHP forms a two‐dimensional supramolecular sheet extending in the (100) plane, whereas 2HAHP has a supramolecular chain running parallel to the [100] direction and 3HAHP has a two‐dimensional network extending parallel to the (001) plane. 相似文献
19.
Cheng‐Bing Ma Hui Chen Ming‐Qiang Hu Chang‐Neng Chen 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(2):m59-m61
In the title compound, [Mn(C5H2N2O4)(C12H9N3)2]·H2O, the MnII centre is surrounded by three bidentate chelating ligands, namely, one 6‐oxido‐2‐oxo‐1,2‐dihydropyrimidine‐5‐carboxylate (or uracil‐5‐carboxylate, Huca2−) ligand [Mn—O = 2.136 (2) and 2.156 (3) Å] and two 2‐(2‐pyridyl)‐1H‐benzimidazole (Hpybim) ligands [Mn—N = 2.213 (3)–2.331 (3) Å], and it displays a severely distorted octahedral geometry, with cis angles ranging from 73.05 (10) to 105.77 (10)°. Intermolecular N—H...O hydrogen bonds both between the Hpybim and the Huca2− ligands and between the Huca2− ligands link the molecules into infinite chains. The lattice water molecule acts as a hydrogen‐bond donor to form double O...H—O—H...O hydrogen bonds with the Huca2− O atoms, crosslinking the chains to afford an infinite two‐dimensional sheet; a third hydrogen bond (N—H...O) formed by the water molecule as a hydrogen‐bond acceptor and a Hpybim N atom further links these sheets to yield a three‐dimensional supramolecular framework. Possible partial π–π stacking interactions involving the Hpybim rings are also observed in the crystal structure. 相似文献
20.
Graham Smith Urs D. Wermuth 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(5):534-537
The structures of two ammonium salts of 3‐carboxy‐4‐hydroxybenzenesulfonic acid (5‐sulfosalicylic acid, 5‐SSA) have been determined at 200 K. In the 1:1 hydrated salt, ammonium 3‐carboxy‐4‐hydroxybenzenesulfonate monohydrate, NH4+·C7H5O6S−·H2O, (I), the 5‐SSA− monoanions give two types of head‐to‐tail laterally linked cyclic hydrogen‐bonding associations, both with graph‐set R44(20). The first involves both carboxylic acid O—H...Owater and water O—H...Osulfonate hydrogen bonds at one end, and ammonium N—H...Osulfonate and N—H...Ocarboxy hydrogen bonds at the other. The second association is centrosymmetric, with end linkages through water O—H...Osulfonate hydrogen bonds. These conjoined units form stacks down c and are extended into a three‐dimensional framework structure through N—H...O and water O—H...O hydrogen bonds to sulfonate O‐atom acceptors. Anhydrous triammonium 3‐carboxy‐4‐hydroxybenzenesulfonate 3‐carboxylato‐4‐hydroxybenzenesulfonate, 3NH4+·C7H4O6S2−·C7H5O6S−, (II), is unusual, having both dianionic 5‐SSA2− and monoanionic 5‐SSA− species. These are linked by a carboxylic acid O—H...O hydrogen bond and, together with the three ammonium cations (two on general sites and the third comprising two independent half‐cations lying on crystallographic twofold rotation axes), give a pseudo‐centrosymmetric asymmetric unit. Cation–anion hydrogen bonding within this layered unit involves a cyclic R33(8) association which, together with extensive peripheral N—H...O hydrogen bonding involving both sulfonate and carboxy/carboxylate acceptors, gives a three‐dimensional framework structure. This work further demonstrates the utility of the 5‐SSA− monoanion for the generation of stable hydrogen‐bonded crystalline materials, and provides the structure of a dianionic 5‐SSA2− species of which there are only a few examples in the crystallographic literature. 相似文献