Disodium 5,5′-diamino-2,2′-ethylenedibenzenesulfonate tetrahydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2714-m2714 ◽  
Author(s):  
Stéphane Dufresne ◽  
Michael Gaultois ◽  
W. G. Skene
Keyword(s):  
Hydrogen Bonding ◽  
Geometric Isomer ◽  
Disodium Salt ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonding ◽  
Π Stacking ◽  
Benzene Rings ◽  
The Mean ◽  
Unsaturated Group

In the title disodium salt, 2Na+·C14H12N2O6S2 2−·4H2O, the two aryl units of the centrosymmetric anion are coplanar. The E geometric isomer was exclusively found, while the mean plane of the unsaturated group is twisted by 10.1 (2)° from the mean plane described by the two aminobenzenes. Four water molecules cocrystallize and participate in intermolecular hydrogen bonding. The anions lie in parallel planes separated by 3.367 (16) Å and their symmetry-related benzene rings are separated by 3.84 (1) Å, leading to weak intermolecular π-stacking.

N,N′-Bis[(4-chloroanilino)thiocarbonyl]isophthalamide dimethylformamide solvate

2006 ◽  
Vol 62 (5) ◽  
pp. o1791-o1792
Author(s):  
You-Ming Zhang ◽  
Cheng Cao ◽  
Qi Lin ◽  
Tai-Bao Wei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Dihedral Angles ◽  
Intermolecular Hydrogen Bonding ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The principal molecule of the title compound, C22H16Cl2N4O2S2·C3H7NO, is not planar; the three benzene rings are tilted with respect to each other, with dihedral angles of 5.51 (11), 60.06 (12) and 64.33 (11)°. Intermolecular hydrogen bonding and π–π stacking help to stabilize the crystal structure.

A trinuclear copper(II) complex: triaquachlorotriperchloratobis[μ2-3-(2-pyridylmethylamino)butyrato]tricopper(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m690-m692
Author(s):  
Ki-Young Choi ◽  
Kyu-Chul Lee ◽  
Han-Hyoung Lee ◽  
Jaejung Ko ◽  
Won-Sik Han
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylate Groups ◽  
Square Planar

In the title compound, [Cu3(C10H13N2O2)2Cl(ClO4)3(H2O)3]·2H2O, the Cu atoms exhibit octahedral, square-pyramidal and square-planar coordination environments, and they are linked by carboxylate groups to form a trinuclear structure. The five water molecules participate in intra- and intermolecular hydrogen bonding.

scholarly journals catena-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m402-m403
Author(s):  
Yun-Xia Hu ◽  
Yan Zhou ◽  
Fang-Ming Wang ◽  
Wen-Wei Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
Interchain Interactions

The polymeric title compound, {[Co(C15H9NO4S)(H2O)3]·H2O}n, consists of chains along [001] made up from Co2+ions bridged by 10-methylphenothiazine-3,7-dicarboxylate anions. The Co2+ion, coordinated by three O atoms from two different carboxylate groups and three water molecules, displays a distorted octahedral environment. In the crystal, π–π interchain interactions, with centroid–centroid distances of 3.656 (2) and 3.669 (2) Å between the benzene rings of the ligands, assemble the chains into sheets parallel to (100). O—H...O hydrogen-bonding interactions between the coordinating water molecules and carboxylate O atoms link the sheets into a three-dimensional network.

scholarly journals 11,11-Diphenyl-11H-indeno[1,2-b]quinoxaline

IUCrData ◽  
2020 ◽  
Vol 5 (9) ◽  
Author(s):  
Lin Chen ◽  
Jin Hu ◽  
Li-Li Wu ◽  
Hong-Shun Sun
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings ◽  
The Mean ◽  
Quinoxaline Ring

In the title compound, C27H18N2, the mean planes of the pendant benzene rings are approximately perpendicular to one another, making a dihedral angle of 79.3 (5)°; the indeno[1,2-b]quinoxaline ring system (r.m.s. deviation = 0.1197 Å) is twisted with respect to the pendant benzene rings by 70.0 (4) and 67.6 (3)°. Weak aromatic π–π stacking [centroid–centroid separation = 3.628 (2) Å] and C—H...π interactions occur in the crystal.

scholarly journals 5,11,17,23-Tetra-tert-butyl-25,27-bis[2-(4-nitrophenoxy)ethoxy]calix[4]arene-26,28-diol acetonitrile tetrasolvate

2009 ◽  
Vol 65 (6) ◽  
pp. o1336-o1337
Author(s):  
Jiu-Mao Yuan ◽  
Yong-Hong Gao ◽  
Jian-Ping Ma ◽  
Dian-Shun Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Cone Conformation ◽  
Compound C ◽  
Butyl Group ◽  
Benzene Rings ◽  
The Mean ◽  
Solvent Molecules

In the crystal structure of the title compound, C60H70N2O10·4CH3CN, the calix[4]arene molecule adopts an open-cone conformation with two intramolecular O—H...O hydrogen bonds. The four benzene rings of the calix[4]arene are twisted to the mean plane defined by four methylene C atoms bridging the benzene rings, with dihedral angles ranging from 57.74 (10) to 65.99 (12)°. Two pendant nitrophenyl rings are nearly perpendicular to each other, the dihedral angle being 70.9 (3)°. The asymmetric unit of the crystal structure contains four acetonitrile solvent molecules, one of which lies in the calix cavity and makes C—H...π interactions and another links with the calix[4]areneviaC—H...O hydrogen bonding. Onetert-butyl group is disordered over two sets of sites, with a 0.736 (13):0.264 (13) occupancy ratio.

scholarly journals 3,5-Diamino-4H-1,2,4-triazol-1-ium 4-nitrobenzoate dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Sanae Lahmidi ◽  
El Mokhtar Essassi ◽  
Mohammed Benchidmi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Water Molecules ◽  
Salt Hydrate ◽  
Π Interactions ◽  
Benzene Rings ◽  
The Mean

The crystal of the title salt hydrate, C2H6N5+·C7H4NO4−·2H2O, is built up from a 3,5-diamino-4H-1,2,4-triazol-1-ium cation linked to a 4-nitrobenzoate anion and to two water molecules through strong hydrogen bonds. The triazolyl ring is virtually planar, with the maximum deviation from the mean plane being 0.003 (1) Å. Small twists are noted in the anion with the dihedral angles between the ring and carboxylate and nitro groups being 7.82 (13) and 9.10 (15)°, respectively. In the crystal, molecules are linked by N—H...O, N—H...N, O—H...O and C—H...O interactions, forming layers parallel to (-101). The sheets are linked by O—H...O hydrogen bonds and π–π interactions between triazole and benzene rings [inter-centroid separation = 3.4967 (8) Å] to form a three-dimensional structure.

3,4:12,13-Dibenzo-5,8,11-trioxo-1,15,18-triazonia-3,12-cycloeicosadiene tribromide

2007 ◽  
Vol 63 (3) ◽  
pp. o1383-o1384
Author(s):  
Yan Wang ◽  
Gang Liu ◽  
Ling Xie ◽  
Ji-De Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Macrocyclic Ligand ◽  
Compound C ◽  
Benzene Rings ◽  
Donor Type ◽  
The Mean

In the cation of the title compound, C22H34N3O3 3+·3Br−, a 20-membered N3O3 donor-type macrocyclic ligand, the mean of all nine N...O distances is 5.775 (2) Å and the dihedral angle between the two benzene rings is 33.5 (2)°. N—H...Br hydrogen bonding helps to stabilize the crystal structure.

N-(7-Dimethoxymethyl-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropionamide monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4249-o4250
Author(s):  
Hoong-Kun Fun ◽  
Shyamaprosad Goswami ◽  
Annada C. Maity ◽  
Sibaprasad Maity ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Water Molecules ◽  
Two Dimensional ◽  
Compound C ◽  
The Mean ◽  
Intramolecular Hydrogen ◽  
Ring Motif

In the title compound, C14H19N5O4·H2O, the 3,4-dihydropteridine ring system deviates sigificantly from planarity, the dihedral angle between the mean planes of the two rings being 3.93 (9)°. Intramolecular N—H...O hydrogen bonding generates an S(6) ring motif. The water molecule forms O—H...O and O—H...N intramolecular hydrogen bonds with the substituted pteridine molecule. In the crystal structure, the substituted pteridine molecules are linked by N—H...N hydrogen bonds into chains running along the c direction. These chains are further connected to the water molecules by N—H...O, O—H...O and O—H...N hydrogen bonds to form two-dimensional networks parallel to the bc plane. The crystal structure is stabilized by intra- and intermolecular N—H...O, N—H...N, O—H...O and O—H...N hydrogen bonds, together with weak C—H...O and C—H...N intra- and intermolecular interactions. C—H...π interactions are also observed.

scholarly journals catena-Poly[[diaqua(1,10-phenanthroline-κ2N,N′)nickel(II)]-μ-1H-benzimidazole-5,6-dicarboxylato-κ2N3:O6]

2009 ◽  
Vol 65 (6) ◽  
pp. m701-m701 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Wei Hu ◽  
Pei-Wen Qin ◽  
Shi-Jie Li
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Title Complex ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Phenanthroline Ligand

In the title complex, [Ni(C9H4N2O4)(C12H8N2)(H2O)2]n, the NiIIatom is hexacoordinated by one N and one O atom from two different 1H-benzimidazole-5,6-dicarboxylate ligands, two N atoms from one 1,10-phenanthroline ligand and two water molecules. The flexible 1H-benzimidazole-5,6-dicarboxylate ligands link the NiIIcentres, forming an infinite zigzag chain parallel to [001]. The crystal packing is governed by intermolecular hydrogen-bonding interactions of the O—H...O, N—H...O and C—H...O types.

scholarly journals 8-Fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (7) ◽  
pp. o774-o774 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Stacking Interactions ◽  
Formyl Group ◽  
Torsion Angles ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C10H5FO3, the non-H atoms of the 8-fluorochromone unit are essentially coplanar (r.m.s. deviation = 0.0259 Å), with a largest deviation from the mean plane of 0.0660 (12) Å for the chromone carbonyl O atom. The formyl group is twisted with respect to the attached ring [C—C—C—O torsion angles = −11.00 (19) and 170.81 (11)°]. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds along theaaxis and [-101], forming corrugated layers parallel to (010). In addition, π–π stacking interactions [centroid–centroid distance between the planes of the pyran and benzene rings = 3.519 (2) Å] are observed between these layers.

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