Bis(2-methylpiperidinium) naphthalene-1,5-disulfonate

The title molecular salt, C7H10N+·C4H5O5−, contains a 4-methylanilinium cation and a 3-carboxy-2-hydroxypropanoate (hydrogen 2-hydroxysuccinate) anion in the asymmetric unit. The cation is protonated at the amine N atom and the anion is deprotonated at one of the hydroxy O atoms of the carboxylic acid groups. An O—H...O hydrogen bond in the anion generates anS(5) graph-set motif. An N—H...O hydrogen bond links the anion and cation in the asymmetric unit. In the crystal, N—H...O and O—H...O hydrogen bonds link adjacent anions and cations, forming a two-dimensional network parallel to theacplane and enclosingR23(12),R23(14) andR32(10) ring motifs.

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2-Amino-3-carboxypyridinium perchlorate

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536812018922 ◽

2012 ◽

Vol 68 (6) ◽

pp. o1601-o1602 ◽

Cited By ~ 1

Author(s):

Fadila Berrah ◽

Sofiane Bouacida ◽

Hayet Anana ◽

Thierry Roisnel

Keyword(s):

Hydrogen Bonds ◽

Three Dimensional ◽

Two Dimensional ◽

Asymmetric Unit ◽

Dimensional Network

The asymmetric unit includes two crystallographically independent equivalents of the title salt, C6H7N2O2 +·ClO4 −. The cations and anions form separate layers alternating along the c axis, which are linked by N—H...O, O—H...O and C—H...O hydrogen bonds into a two-dimensional network parallel to (100). Further C—H...O contacts connect these layers, forming a three-dimensional network, in which R 4 4(20) rings and C 2 2(11) infinite chains can be identified.

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Crystal structures of 2-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate and bis-[4-methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate] pentahydrate

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989017012981 ◽

2017 ◽

Vol 73 (10) ◽

pp. 1483-1487

Author(s):

P. Sivakumar ◽

S. Israel ◽

G. Chakkaravarthi

Keyword(s):

Hydrogen Bonds ◽

Pyridine Ring ◽

Crystal Packing ◽

Water Molecules ◽

Two Dimensional ◽

Asymmetric Unit ◽

Aromatic Rings ◽

Π Interactions ◽

Dimensional Network ◽

Anions And Cations

The title salt (I), C6H8N+·C20H17O8−, comprises a 2-methylpyridinium cation and a 2,3-bis(4-methylbenzoyloxy)succinate mono-anion while the salt (II), 2C6H8N+·2C20H17O8−·5H2O, consists of a pair of 4-methylpyridinium cations and 2,3-bis(4-methylbenzoyloxy)succinate mono-anions and five water molecules of solvation in the asymmetric unit. In (I), the dihedral angle between the aromatic rings of the anion is 40.41 (15)°, comparing with 43.0 (3) and 85.7 (2)° in the conformationally dissimilar anion molecules in (II). The pyridine ring of the cation in (I) is inclined at 23.64 (16) and 42.69 (17)° to the two benzene moieties of the anion. In (II), these comparative values are 4.7 (3), 43.5 (3)° and 43.5 (3), 73.1 (3)° for the two associated cation and anion pairs. The crystal packing of (I) is stabilized by inter-ionic N—H...O, O—H...O and C—H...O hydrogen bonds as well as weak C—H...π interactions, linking the ions into infinite chains along [100]. In the crystal packing of (II), the anions and cations are also linked by N—H...O and O—H...O hydrogen bonds involving also the water molecules, giving a two-dimensional network across (001). The crystal structure is also stabilized by weak C—H...O and C—H...π interactions.

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N 1,N 4,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536812022519 ◽

2012 ◽

Vol 68 (6) ◽

pp. o1841-o1842

Author(s):

Na-Bo Sun ◽

Guo-Wu Rao ◽

Qun Shen

Keyword(s):

Hydrogen Bonds ◽

Dihedral Angles ◽

Maximum Deviation ◽

Boat Conformation ◽

Two Dimensional ◽

Asymmetric Unit ◽

Compound C ◽

Dimensional Network ◽

The Mean ◽

Independent Molecules

The asymmetric unit of the title compound, C8H14N6O2, contains two independent molecules. In one molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.028 (1) Å] through the four other atoms in the ring by 0.350 (2) and 0.344 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 10.46 (13) and 20.41 (12)° with the four approximtely planar atoms in the tetrazine ring. In the other molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.033 (1) Å] through the four other atoms in the ring by 0.324 (2) and 0.307 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 14.66 (11) and 17.08 (10)° with the four approximately planar atoms of the tetrazine ring. In the crystal, N—H...O hydrogen bonds connect molecules to form a two-dimensional network parallel to (1-1-1). Intramolecular N—H...N hydrogen bonds are observed.

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Crystal structure of an organic–inorganic supramolecular salt based on a 4,4′-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium) cation and a β-octamolybdate anion

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015024524 ◽

2016 ◽

Vol 72 (2) ◽

pp. 124-127 ◽

Cited By ~ 1

Author(s):

Tatiana R. Amarante ◽

Isabel S. Gonçalves ◽

Filipe A. Almeida Paz

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Title Compound ◽

Inversion Symmetry ◽

Two Dimensional ◽

Asymmetric Unit ◽

Dimensional Network

The asymmetric unit of the title compound, bis[4,4′-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium)] β-octamolybdate, (C11H18N4)2[Mo8O26] or (H4mbdpz)2[Mo8O26], is composed of an H4mbdpz2+cation and half of the β-octamolybdate anion which is completed by inversion symmetry. The organic molecular units are engaged in a series of N—H...O hydrogen bonds with neighbouring anions, with N...O distances and N—H...O angles in the ranges 2.730 (2)–2.941 (2) Å and 122–166°, respectively. These interactions lead to the formation of a supramolecular two-dimensional network parallel to the (010) plane.

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2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536814015220 ◽

2014 ◽

Vol 70 (8) ◽

pp. o857-o858 ◽

Cited By ~ 2

Author(s):

Bellarmin Edison ◽

Kasthuri Balasubramani ◽

Kaliyaperumal Thanigaimani ◽

Nuridayanti Che Khalib ◽

Suhana Arshad ◽

...

Keyword(s):

Hydrogen Bonds ◽

Maximum Deviation ◽

Zigzag Chain ◽

Amino Group ◽

Two Dimensional ◽

Dimensional Network ◽

Graph Set ◽

Self Assembled ◽

Molecular Salt ◽

Ring Motif

In the title molecular salt, C4H6ClN4+·C5H7O4−, the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notationC(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anionviaa pair of N—H...O hydrogen bonds with anR22(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notationR32(8),R22(8),R42(8),R22(8) andR32(8). In addition, another type ofR22(8) motif is formed by inversion-related pyrimidinium cationsviaN—H...N hydrogen bonds, forming a two-dimensional network parallel to (101).

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Crystal structure of 6,6,12,12-tetrachlorotricyclo[8.2.0.04,7]dodecane-5,11-dione

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015014383 ◽

2015 ◽

Vol 71 (9) ◽

pp. 1000-1002

Author(s):

Esra Turan Akın ◽

Tuncer Hökelek

Keyword(s):

Crystal Structure ◽

Hydrogen Bond ◽

Hydrogen Bonds ◽

Membered Ring ◽

Two Dimensional ◽

Asymmetric Unit ◽

Hydrogen Atoms ◽

Compound C ◽

Dimensional Network ◽

Independent Molecules

The asymmetric unit of the title compound, C12H12Cl4O2, contains two crystallographically independent molecules with almost identical conformations (r.m.s. overlay fit for the non-hydrogen atoms = 0.059 Å). In each molecule, the central eight-membered ring has a distorted boat configuration, and two non-planar four-membered rings are fused on either side of the eight-membered ring. A weak C—H...O hydrogen bond links the two independent molecules. In the crystal, weak C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001).

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5-Acetyl-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carbonitrile

IUCrData ◽

10.1107/s241431461701700x ◽

2017 ◽

Vol 2 (12) ◽

Author(s):

Shaaban K. Mohamed ◽

Joel T. Mague ◽

Mehmet Akkurt ◽

Etify A. Bakhite ◽

Elham A. Al-Taifi

Keyword(s):

Hydrogen Bonds ◽

Title Compound ◽

Pyridine Ring ◽

Independent Molecule ◽

Two Dimensional ◽

Asymmetric Unit ◽

Compound C ◽

Dimensional Network ◽

The Mean ◽

Independent Molecules

The asymmetric unit of the title compound, C18H15N3O2S, comprises two independent molecules, which differ primarily in the orientations of the acetyl andp-anisyl substituents, each being rotated in opposite directions from the mean plane of the pyridine ring. The major feature of the molecular packing is the formation of a two-dimensional network parallel to the (110) plane, being mediated by amine-N—H...O(carbonyl) hydrogen bonds involving one amine H atom of each independent molecule. The remaining amine-H atoms form significantly weaker N—H...O(methoxy) interactions.

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Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989016019873 ◽

2017 ◽

Vol 73 (1) ◽

pp. 76-80

Author(s):

Guido J. Reiss ◽

Martin van Megen ◽

Walter Frank

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Three Dimensional ◽

Membered Ring ◽

Two Dimensional ◽

Asymmetric Unit ◽

Diphosphonic Acid ◽

Dimensional Network ◽

Anions And Cations ◽

Graph Set

The asymmetric unit of the title salt, [H3N(CH2)6NH3][(HO)O2P(CH2)6PO2(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2aand 2d) of the space groupP21/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH2groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phosphonate (–PO3H) groups of the anions and the aminium groups of the cations form two-dimensional O—H... and O—H...N hydrogen-bonded networks parallel to theacplane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptorsR33(10) andR54(12), respectively. These networks are linked by the alkylene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-diaminohexane and hexane-1,6-diphosphonic acid.

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4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate

Acta Crystallographica Section E Structure Reports Online ◽

10.1107/s1600536813028900 ◽

2013 ◽

Vol 69 (11) ◽

pp. o1707-o1708 ◽

Cited By ~ 1

Author(s):

Thammarse S. Yamuna ◽

Jerry P. Jasinski ◽

Brian J. Anderson ◽

H.S. Yathirajan ◽

Manpreet Kaur

Keyword(s):

Hydrogen Bonds ◽

Pyrimidine Ring ◽

Dihedral Angles ◽

Water Molecules ◽

Two Dimensional ◽

Asymmetric Unit ◽

Compound C ◽

Dimensional Network ◽

Centroid Distance ◽

The Mean

The title compound, C15H12N4O4·2H2O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N–H...O, O—H...N and O—H...O hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—H...π and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur.

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