215 research outputs found
A Second Crystal Polymorph of Anilinium Picrate
The crystal structure of a second monoclinic polymorph of anilinium picrate shows a three-dimensional hydrogen-bonded polymer with strong primary interspecies interactions involving the proximal phenolate and adjacent nitro group O-atom acceptors and separate anilinium H-atom donors in two cyclic R (6) associations. Other nitro-O-anilinium-H hydrogen bonds together with heteromolecular interactions are also present
Adenosinium 3,5-dinitrosalicylate
The crystal structure of adenosinium 3,5-dinitrosalicylicate, C10H14N5O4+烷H3N2O7-, shows the presence of a primary chain structure formed through homomeric head-to-tail cyclic R22(10) hydrogen-bonding interactions between hydroxy O- and both purine and amine N-donor and acceptor groups of the furanose and purine moieties of the adenosinium species. These chain structures are related by crystallographic 21 symmetry. Secondary hetero-ionic hydrogen bonding, involving the 3,5-dinitrosalicylate anion, including a cyclic R22(8) interaction between the carboxylate group and the protonated purine and amine groups of the adenosinium cation are also present, together with heteromolecular - interactions giving a three-dimensional hydrogen-bonded polymer structure.Full Tex
Guanidinium 2-Carboxy-6-Nitrobenzoate Monohydrate: A Two-Dimensional Hydrogen-Bonded Network Structure
In the structure of the title compound, CH6N3+ . C8H4NO6- . H2O, obtained from the reaction of guanidine carbonate with 3-nitrophthalic acid, the 2-carboxylic acid group is deprotonated and participates in an asymmetric cyclic R2/1(6) hydrogen-bonding associatiuon with the guanidine cation together with a bridging water molecule of solvation. A conjoint R2/1(7) facial association involving a nitro O-atom acceptor together with a further five guanidinium N-H...O hydrogen bonds, as well as a strong carboxyl-water interaction [2.528(3) Ang.], give a two-dimensiional network structure
Pseudopolymorphism in Brucine: Brucine-Water (1/2), The Third Crystal Hydrate of Brucine
The structure of the third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4 . 2H2O, has been determined at 130 K. The asymmetric unit comprises two independent brucine molecules and four water molecules of solvation. The four water molecules form uncommon cyclic hydrogen-bonded homomolecular R2/2(8) tetramer rings, which then form primary hydrogen-bonded chain substructures, extending down the 21 screw axis in the unit cell. The two brucine molecules are linked peripherally to these substructures by either single O-H...O(brucine) or O-H...N(brucine) hydrogen bonds
Ethane-1,2-diaminium 4,5-dichlorophthalate
In the structure of the title compound, C2H10N2
2+·C8H2Cl2O4
2−, the dications and dianions form hydrogen-bonded ribbon substructures which enclose conjoint cyclic R
2
1(7), R
1
2(7) and R
4
2(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]
4-Aminopyridinium cis-2-carboxycyclohexane-1-carboxylate
In the structure of the title molecular salt, C5H7N2
+·C8H11O4
−, the cis monoanions associate through short O—H⋯O hydrogen bonds in the carboxylic acid groups [graph set C(7)], forming zigzag chains which extend along the c axis. These are interlinked through pyridinium and amine N—H⋯O hydrogen bonds, giving a three-dimensional network structure
4-(2-Hydroxyethyl)anilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate
In the structure of the title compound, C8H12NO+·C7H5O6S−·H2O, isolated from the reaction of 2-(4-aminophenyl)ethanol with 5-sulfosalicylic acid, the cations form head-to-tail hydrogen-bonded chains through C
1
1(9) anilinium N+—H⋯Ohydroxyl interactions while the anions also form parallel but C
1
1(8)-linked chains through carboxylic acid O—H⋯Osulfonate interactions. These chains inter-associate through a number of N+—H⋯O and O—H⋯O bridging interactions, giving a two-dimensional array in the ab plane
Poly[di-μ-aqua-bis(μ-2-amino-4-nitrobenzoato)dicaesium]
In the structure of title compound, [Cs2(C7H5N2O4)2(H2O)2]n, the asymmetric unit contains two independent Cs atoms comprising different coordination polyhedra. One is nine-coordinate, the other seven-coordinate, both having irregular configurations. The CsO9 coordination polyhedron comprises O-atom donors from three bridging water molecules, one of which is doubly bridging, three from carboxylate groups, and three from nitro groups, of which two are bidentate chelate bridging. The CsO6N coordination polyhedron comprises the two bridging water molecules, one amine N-atom donor, one carboxylate O-atom donor and four O-atom donors from nitro groups (two from the chelate bridges). The extension of the dimeric unit gives a three-dimensional polymeric structure, which is stabilized by both intra- and intermolecular amine N—H⋯O and water O—H⋯O hydrogen bonds to carboxylate O-atom acceptors, as well as inter-ring π–π interactions [minimum ring centroid–centroid separation = 3.4172 (15) Å]
Guanidinium quinoline-2-carboxylate
In the structure of the guanidinium salt of quinaldic acid, CH6N3
+·C10H6NO2
−, the asymmetric unit contains two independent cations and anions having similar inter-species hydrogen-bonding environments, which include cyclic R
2
2(8), R
2
1(6) and R
1
2(5) associations. These and additional weak aromatic ring π–π interactions [minimum ring-centroid separation = 3.662 (2) Å] give a two-dimensional layered structure
Sodium 2-nitrocinnamate dihydrate: a one-dimensional hydrogen-bonded coordination polymer
The title compound catena-poly[aquasodium-μ2-aqua-μ3-2-nitrocinnamato], [Na(C9H6NO4)(H2O)2]n, the sodium salt of trans-2-nitrocinnamic acid, is a one-dimensional coordination polymer based on six-coordinate octahedral NaO6 centres, comprising three facially related monodentate carboxylate O-atom donors from separate ligands (all bridging) [Na—O = 2.4370 (13)–2.5046 (13) Å], and three water molecules (two bridging and one monodentate) [Na—O = 2.3782 (13)–2.4404 (17) Å]. The structure is also stabilized by intra-chain water–carboxylate and water–nitro O—H⋯O hydrogen bonds
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