1,721,106 research outputs found
Hydrogen-Bonding in the Structures of the Hydrated Proton-Transfer Compounds of Isonipecotamide with the Isomeric Indole-2- and Indole-3-Carboxylic Acids
No full textThe structures of two hydrated proton-transfer compounds of 4-piperidinecarboxamide (isonipecotamide) with the isomeric heteroaromatic carboxylic acids indole-2-carboxylic acid and indole-3-carboxylic acid, namely 4-carbamoylpiperidinium indole-2-carboxylate dihydrate (1) and 4-carbamoylpiperidinium indole-3-carboxylate hemihydrate (2) have been determined at 200 K. Crystals of both 1 and 2 are monoclinic, space groups P21/c and P2/c, respectively with Z = 4 in cells having dimensions a = 10.6811(4), b = 12.2017(4), c = 12.5456(5) Ŭ ߠ= 96.000(4)ࠨ1) and a = 15.5140(4), b = 10.2908(3), c = 9.7047(3) Ŭ ߠ= 97.060(3)ࠨ2). Hydrogen-bonding in 1 involves a primary cyclic interaction involving complementary cation amide N-H緷O(carboxyl) anion and anion hetero N-H緷O(amide) cation hydrogen bonds [graph set R22(9)]. Secondary associations involving also the water molecules of solvation give a two-dimensional network structure which includes weak water O-H緷p interactions. In the three-dimensional hydrogen-bonded structure of 2, there are classic centrosymmetric cyclic head-to-head hydrogen-bonded amide-amide interactions [graph set R22(8)] as well as lateral cyclic amide-O linked amide-amide extensions [graph set R42(8)]. The anions and the water molecule, which lies on a twofold rotation axis, are involved in secondary extensions.No Full Tex
Guanidinium 2-phenylacetate
No full textIn the structure of the title salt, CH6N3+·C8H7O2−, the guanidinium cation gives three cyclic hydrogen-bonding interactions with O-atom acceptors of three independent phenylacetate anions, one R22(8) and two R21(6), giving one-dimensional columnar structures which extend down the 42 axis in the tetragonal cell. Within these structures, there are solvent-accessible voids of volume 86.5 Å3
Low-dimensional hydrogen-bonded structures in the 1:1 and 1:2 proton-transfer compounds of 4,5-dichlorophthalic acid with the aliphatic Lewis bases triethylamine, diethylamine, n-butylamine and piperidine
No full textThe structures of the proton-transfer compounds of 4,5-dichlorophthalic acid (DCPA) with the aliphatic Lewis bases triethylamine, diethylamine, n-butylamine and piperidine, namely triethylaminium 2-carboxy-4,5-dichlorobenzoate, C6H16N+烸H3Cl2O4-, (I), diethylaminium 2-carboxy-4,5-dichlorobenzoate, C4H12N+烸H3Cl2O4-, (II), bis(butanaminium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate, 2C4H12N+烸H2Cl2O42-爲O, (III), and bis(piperidinium) 4,5-dichlorobenzene-1,2-dicarboxylate monohydrate, 2C5H12N+烸H2Cl2O42-爲O, (IV), have been determined at 200 K. All compounds have hydrogen-bonding associations, giving discrete cation-anion units in (I) and linear chains in (II), while (III) and (IV) both have two-dimensional structures. In (I), a discrete cation-anion unit is formed through an asymmetric R12(4) N+-HO2 hydrogen-bonding association, whereas in (II), chains are formed through linear N-HO associations involving both aminium H-atom donors. In compounds (III) and (IV), the primary N-HO-linked cation-anion units are extended into a two-dimensional sheet structure via amide-carboxyl N-HO and amide-carbonyl N-HO interactions. In the 1:1 salts (I) and (II), the hydrogen 4,5-dichlorophthalate anions are essentially planar with short intramolecular carboxyl-carboxyl O-HO hydrogen bonds [OO = 2.4223 (14) and 2.388 (2) Ŭ respectively]. This work provides a further example of the uncommon zero-dimensional hydrogen-bonded DCPA-Lewis base salt and the one-dimensional chain structure type, while even with the hydrate structures of the 1:2 salts with the primary and secondary amines, the low dimensionality generally associated with 1:1 DCPA salts is also found.Full Tex
Guanidinium 3-nitrobenzoate
No full textThe title compound, CH6N3+·C7H4NO4−, an anhydrous guanidinium salt, shows a N—H...O hydrogen-bond network in which the guanidinium cation is involved in three cyclic R21(6) hydrogen-bonding associations with separate carboxylate O-atom acceptors. Further peripheral associations include a cyclic R12(4) cation–anion interaction, forming interlinked undulating sheets in the three-dimensional structure
4-Carbamoylpiperidinium 2-carboxybenzoate-benzene-1,2-dicarboxylic acid (1/1)
No full textThe asymmetric unit of the title salt adduct, C6H13N2O+烸H5O4-烸H6O4, comprises one isonipecotamide cation, a hydrogen phthalate anion and a phthalic acid adduct molecule. These form a two-dimensional hydrogen-bonded network through head-to-tail cation-anion-adduct molecule interactions which include a cyclic heteromolecular amide-carboxylate motif [graph set R22(8)], conjoint cyclic R22(6) and R33(10) piperidinium N-H...Ocarboxyl associations, as well as strong carboxyl O-H...Ocarboxyl hydrogen bonds.Full Tex
Order and Disorder in the Structures of Two Crystal Polymorphs of the Adduct Bis(Quinolinium-2-Carboxylate) DL-Malic Acid
No full textThe 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) Ŭ a = 79.671(5), ߠ= 83.094(6), ? = 88.745(6)Crystals of the monoclinic polymorph 2 have space group P21/c, with Z = 2 in a cell with dimensions a = 13.3640(4), b = 4.4237(12), c = 18.4182(5) Ŭ ߠ= 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緷Oquinaldic 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緷O interactions [graph set R22(10)] whereas in 2 the links are through single hydroxy-carboxyl hydrogen bonds. Graphical Abstract 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.Full Tex
Ethane-1,2-diaminium 4,5-dichlorophthalate
No full textIn the structure of the title compound, C2H10N22+·C8H2Cl2O42−, the dications and dianions form hydrogen-bonded ribbon substructures which enclose conjoint cyclic R21(7), R12(7) and R42(8) associations and extend down the c-axis direction. These ribbons inter-associate down b, giving a two-dimensional sheet structure. In the dianions, one of the carboxylate groups is essentially coplanar with the benzene ring, while the other is normal to it [C—C—C—O torsion angles = 177.67 (12) and 81.94 (17)°, respectively]
Guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate
No full textThe crystal structure of guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate, [(CH6N3+)2(C9H4INO4S2-)爲O], shows a three-dimensional hydrogen-bonded polymer structure, in which the two guanidinium cations and the water molecule are involved in extensive hydrogen bonding, linking together rows of the dianions. The dianions result from deprotonation of both the sulfonic acid and the phenolic hydroxy groups of the substituted quinoline molecule.Full Tex
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