scholarly journals 2,2′,2′′,2′′′-(1,4-Phenylenedinitrilo)tetraacetic acid dihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1623-o1623
Author(s):  
Juanzhi Yan ◽  
Ling Ma ◽  
Miaoli Zhu ◽  
Xiangdong Zhang ◽  
Chunhua Ge
Keyword(s):  
Hydrogen Bond ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Tetraacetic Acid ◽  
Compound C

In the title compound, C14H16N2O8·2H2O, the complete organic molecule is generated by crystallographic inversion symmetry. The dihedral angles between the aniline ring and the acetic acid groups are almost identical, viz. 82.61 (7) and 80.33 (7)°. In the crystal, O—H...O hydrogen bonds link the organic molecules and water molecules, forming zigzag chains the c axis. An intramolecular O—H...O hydrogen bond is also observed.

scholarly journals (S,Z)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. o169-o170
Author(s):  
Alex Fabiani Claro Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Lucas Pizzuti ◽  
Patrick Teixeira Campos
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Propanoic Acid ◽  
Water Molecules ◽  
Solvent Water ◽  
Compound C

In the title compound, C17H18Cl3NO5·H2O, intramolecular N—H...O and C—H...Cl hydrogen bonds formS(6) andS(5) ring motifs, respectively. The chiral organic molecule is connected to the solvent water molecule by a short O—H...O hydrogen bond. In the crystal, a weak C—H...Cl interaction connects the organic molecules along [100] while the water molecules act as bridges between the organic molecules in both the [100] and [010] directions, generating layers parallel to theabplane.

scholarly journals Crystal structure ofS,N-dibenzyl-D-penicillamine monohydrate

2014 ◽  
Vol 70 (11) ◽  
pp. o1209-o1209
Author(s):  
Nobuto Yoshinari ◽  
Takumi Konno
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Organic Molecules ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Zwitterionic Form ◽  
Compound C

In the asymmetric unit of the title compound, C19H23NO2S·H2O, there are two independent organic molecules and two water molecules. Both organic molecules exist as the zwitterionic form. The dihedral angles between the planes of the rings in the organic molecules are 86.84 (10) and 88.77 (11)°. An intramolecular N—H...S hydrogen bond occurs. In the crystal, organic and water molecules are linked by N—H...O and O—H...O hydrogen bonds, generating a tape structure running along theb-axis direction.

scholarly journals (3Z)-3-[(Z)-2-(2-Oxoindolin-3-ylidene)hydrazin-1-ylidene]indolin-2-one 0.17-hydrate

2014 ◽  
Vol 70 (6) ◽  
pp. o721-o721
Author(s):  
Yong-Hong Liu ◽  
Lei Zhao ◽  
Ming-Xuan Liu ◽  
Hai Lin ◽  
Jing-Jing Li
Keyword(s):  
Hydrogen Bonds ◽  
Microwave Irradiation ◽  
Organic Molecule ◽  
Condensation Reaction ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Compound C ◽  
One Step ◽  
The One

In the title compound, C16H10N4O2·0.17H2O, prepared by the one-step condensation reaction of isatin with hydrazine hydrate under microwave irradiation, the complete organic molecule is generated by crystallographic inversion symmetry and therefore exists in anS-transconformation. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating a three-dimensional framework with [001] channels, which are occupied by the disordered water molecules.

scholarly journals 4-(4-Chlorophenyl)-6-hydroxy-5-(2-thienylcarbonyl)-6-(trifluoromethyl)-3,4,5,6-tetrahydropyrimidin-2(1H)-one monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1339-o1339 ◽  
Author(s):  
Mohammad Hossein Mosslemin ◽  
Mohammad Reza Nateghi ◽  
Hesamaddin Sadoughi ◽  
Asal Lamei
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Organic Molecules ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Organic Species ◽  
Compound C ◽  
Phenyl Rings

The asymmetric unit of the title compound, C16H12ClF3N2O3S·H2O, contains two crystallographically independent organic molecules and two water molecules. The organic species are linked by an intermolecular O—H...O hydrogen bond, while the water molecules are connected to them through intermolecular O—H...N hydrogen bonds. The thiophene and phenyl rings are oriented at dihedral angles of 62.35 (4) in the first independent molecule and 60.74 (5)° in the second, while the pyrimidine rings adopt twisted conformations in both molecules. Intramolecular N—H...F interactions result in the formation of two five-membered rings having envelope conformations. In the crystal structure, further intermolecular O—H...O and N—H...O hydrogen bonds link the molecules into chains.

scholarly journals Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. o945-o946 ◽  
Author(s):  
Simone Haslinger ◽  
Gerhard Laus ◽  
Klaus Wurst ◽  
Herwig Schottenberger
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Organic Molecules ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Compound C ◽  
Phenyl Rings

The title compound, C12H11N5·2H2O, which crystallizes as a dihydrate, was obtained by CuI-catalysed azide–alkyne cycloaddition from 2-azido-1-methylimidazole and phenylethyne. The dihedral angles between the central triazole ring (r.m.s. deviation = 0.004 Å) and the pendant imidazole (r.m.s. deviation = 0.006 Å) and phenyl rings are 12.3 (2) and 2.54 (19)°, respectively. In the crystal, the water molecules are connected into [010] chains by O—H...O hydrogen bonds, while O—H...N hydrogen bonds connect the water molecules to the organic molecules, generating corrugated (100) sheets.

Ethyl [3-(2-pyridyl)pyrazol-1-yl]acetate monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1380-o1382 ◽  
Author(s):  
Ana C. Coelho ◽  
Isabel S. Gonçalves ◽  
Filipe A. Almeida Paz
Keyword(s):  
Hydrogen Bond ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Water Molecules ◽  
Pyridyl Ring ◽  
Zigzag Chain ◽  
Asymmetric Unit ◽  
Acetate Monohydrate ◽  
One Dimensional ◽  
Compound C

The asymmetric unit of the title compound, C12H13N3O2·H2O, comprises two crystallographically independent organic molecules and two water molecules. There is an O—H...N hydrogen bond between each water molecule and the 2-substituted pyridyl ring of an organic molecule. The water molecules are further engaged in disordered O—H...O hydrogen bonds with each other, leading to the formation of a one-dimensional zigzag chain running parallel to the b axis.

scholarly journals Crystal structure of 4-bromo-2-[(E)-N-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o349-o350
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Water Molecules ◽  
Equatorial Orientation

In the title hydrate, C16H23BrN2O·2H2O, the organic molecule features a strong intramolecular O—H...N hydrogen bond. The piperidine ring, in addition, adopts a chair conformation with the exocyclic C—N bond in an equatorial orientation. The water molecules of crystallization are disordered (each over two sets of sites with half occupancy. In the crystal, they associate into corrugated (100) sheets of (H2O)4tetramers linked by O—H...O hydrogen bonds. The organic molecules, in turn, are arranged at both sides of these sheets, linked by water–piperidine O—H...N hydrogen bonds.

scholarly journals 4-[(2-Carboxyethyl)amino]benzoic acid monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1098-o1098 ◽  
Author(s):  
Chunman Jia ◽  
Shangwen Chen ◽  
Wenbing Yuan
Keyword(s):  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Carboxyl Groups ◽  
Water Molecules ◽  
Carboxyl Group ◽  
Compound C ◽  
Amino Benzoic Acid

In the title compound, C10H11NO4·H2O, the carboxyl group is twisted at a dihedral angle of 6.1 (3)° with respect to the benzene ring. In the crystal, the organic molecules are linked by pairs of O—H...O hydrogen bonds involving both carboxyl groups, forming zigzag chains propagating along theb-axis direction. The water molecules form [100] chains linked by O—H...O hydrogen bonds. The organic molecule and water chains are cross-linked by N—H...Owaterand Owater—H...O hydrogen bonds, generating (001) sheets.

1,4-Bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane 4.5-hydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1682-o1684
Author(s):  
Qing-Xiang Li ◽  
Yun-Jun Shen ◽  
Ying Du ◽  
Zhi-Hua Wang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Organic Molecules ◽  
Crystal Packing ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

The title compound, C22H27N7·4.5H2O, crystallizes with two molecules of 1,4-bis(benzimidazol-2-ylmethyl)-1,4,7-triazacyclononane and nine disordered water molecules in the asymmetric unit. Each triazacyclononane group exhibits an intramolecular N—H...N hydrogen bond. The crystal packing is dominated by N—H...O and O—H...N hydrogen bonds between organic molecules and water molecules, and also between water molecules.

scholarly journals Crystal structure of (E)-4-hydroxy-N′-(3-hydroxybenzylidene)benzohydrazide monohydrate

2014 ◽  
Vol 70 (9) ◽  
pp. o891-o892 ◽  
Author(s):  
William T. A. Harrison ◽  
John Nicolson Low ◽  
James L. Wardell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Hydroxy Group ◽  
Torsion Angle ◽  
Organic Molecules ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Aromatic Rings

In the title benzohydrazide hydrate, C14H12N2O3·H2O, the dihedral angle between the aromatic rings is 58.11 (6)° and the C=O and N—H groups adopt anantiorientation. The main twist in the molecule occurs about the C(=O)—Car(ar = aromatic) bond, with an N—C(=O)—Car—Cartorsion angle of −43.5 (2)°. In the crystal, the components are linked by N—H...O, O—H...N and O—H...O hydrogen bonds. These interactions generate [10-1] chains, with adjacent organic molecules linked by inversion symmetry generating either pairs of N—H...O links [R22(16) loops] or pairs of O—H...O links [R22(20) loops]. Pairs of water molecules are located in theR22(20) loops and form their own O—H...O and O—H...N hydrogen bonds to adjacent organic molecules in the chain. Finally, an interchain O—H...O hydrogen-bond link from the 4-hydroxy group generates (010) sheets.

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