215 research outputs found

    A Second Crystal Polymorph of Anilinium Picrate

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    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

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    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

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    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

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    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

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    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

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    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

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    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]

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    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

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    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

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    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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