scholarly journals 1-Azaniumylcyclobutane-1-carboxylate monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. o217-o218
Author(s):  
Ray J. Butcher ◽  
Greg Brewer ◽  
Aaron S. Burton ◽  
Jason P. Dworkin
Keyword(s):  
Amino Acid ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Layered Structure ◽  
Title Compound ◽  
Carboxylate Group ◽  
Two Dimensional ◽  
Zwitterionic Form ◽  
Compound C

In the title compound, C5H9NO2·H2O, the amino acid is in the usual zwitterionic form involving the α-carboxylate group. The cyclobutane backbone of the amino acid is disordered over two conformations, with occupancies of 0.882 (7) and 0.118 (7). In the crystal, N—H...O and O—H...O hydrogen bonds link the zwitterions [with the water molecule involved as both acceptor (with the NH3+) and donor (through a single carboxylate O from two different aminocyclobutane carboxylate moities)], resulting in a two-dimensional layered structure lying parallel to (100).

The layered structure of poly[[hexaaqua(μ4-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]

2013 ◽  
Vol 69 (11) ◽  
pp. 1344-1347 ◽  
Author(s):  
Patricio Cancino ◽  
Evgenia Spodine ◽  
Verónica Paredes-García ◽  
Diego Venegas-Yazigi ◽  
Andrés Vega
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Layered Structure ◽  
Title Compound ◽  
Coordination Mode ◽  
Water Molecules ◽  
Two Dimensional ◽  
Coordination Environment ◽  
Dimensional Network

In the structure of the title compound, {[Cu2(C10H2O8)(H2O)6]·4H2O}n, the benzene-1,2,4,5-tetracarboxylate ligand, (btec)4−, is located on a crystallographic inversion centre in a μ4-coordination mode. The coordination environment of each pentacoordinated CuIIcentre is square pyramidal (SBP), formed by three water molecules and two carboxylate O atoms from two different (btec)4−ligands. The completely deprotonated (btec)4−ligand coordinates in a monodentate mode to four CuIIatoms. The alternation of (btec)4−ligands and SBP CuIIcentres leads to the formation of a planar two-dimensional covalent network of parallelograms, parallel to theabplane. Hydrogen bonds between a basal water molecule and an apical one from an adjacent [Cu(btec)0.5(H2O)3] unit exist in the intralayer space. Hydrogen bonds are also present between the two-dimensional network and the water molecules filling the channels in the structure.

scholarly journals 6-Bromo-1H-indole-2,3-dione hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
John R. Turbitt ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Mean Deviation ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule

The title compound, C8H4BrNO2·0.5H2O, has a single planar molecule in the asymmetric unit with the non-H atoms having a mean deviation from planarity of 0.028 Å. There is also a half of a water molecule (twofold symmetry) present in the asymmetric unit, which hydrogen bonds with the isatin molecules through O—H...O and N—H...O hydrogen bonds to form a two-dimensional framework in theabplane. There are close Br...O contacts of 2.999 (2) Å to link the layers. The nine-membered rings of the isatin molecules stack along theaaxis with parallel slipped π–π interactions [inter-centroid distances = 3.6989 (19) and 4.1227 (19) Å].

scholarly journals 5-Bromophthalazine hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2421-o2421
Author(s):  
Mingjian Cai
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Two Dimensional ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C8H5BrN2·0.5H2O, is a phthalazine derivative synthesized from 3-bromobenzene-1,2-dicarbaldehyde and hydrazine. The molecule is essentially planar, the deviation from the mean plane of the phthalazine ring being 0.015 (3) Å. The O atom of the solvent water molecule is situated on a twofold rotation axis. In the crystal, O—H...N hydrogen bonds and short N...Br [2.980 (3) Å] contacts lead to the formation of a two-dimensional network parallel to (101).

scholarly journals Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butanoate

2014 ◽  
Vol 70 (9) ◽  
pp. o1063-o1064 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
Brian J. Anderson ◽  
H.S. Yathirajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Carboxylate Group ◽  
Piperazine Ring ◽  
Zwitterionic Form ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H18N4O2, crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N—H...O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C—H...O interactions, which generate a three-dimensional network.

1,1′-(2,5-Dimethyl-1,4-phenylenemethylene)di-1H-imidazole dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1733-o1734
Author(s):  
Wen-Hua Wang ◽  
Wei Dou ◽  
Zhong-Lu You ◽  
Wei-Sheng Liu ◽  
Da-Qi Wang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Chain Links

In the title compound, C16H18N4·2H2O, there is one half-molecule (organic) and one water molecule in the asymmetric unit, the organic molecule being centrosymmetric. The separation of the two terminal N atoms is 11.296 (8) Å and the dihedral angle between the benzene and imidazole rings is 85.27 (18)°; the molecule adopts a Z-shaped conformation. A one-dimensional water chain links the organic molecules, forming a two-dimensional ladder-shaped network along the b-axis direction through intermolecular O—H...O and N—H...O hydrogen bonds.

scholarly journals (E)-4-Amino-N′-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2321-o2322 ◽  
Author(s):  
Hadi Kargar ◽  
Reza Kia ◽  
Muhammad Nawaz Tahir
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
Ring Motif

In the title compound, C15H15N3O3·H2O, the hydazide Schiff base molecule shows anEconformation around the C=N bond. An intramolecular O—H...N hydrogen bond makes anS(6) ring motif. The dihedral angle between the substituted phenyl rings is 23.40 (11)°. The water molecule mediates linking of neighbouring molecules through O—H...(O,O) hydrogen bonds into infinite chains along theaaxis, which are further connected together through N—H...O hydrogen bonds, forming a two-dimensional network parallel to (001). C—H...O interactions aso occur.

scholarly journals Crystal structure of diethyl 3-(3-chlorophenyl)-2,2-dicyanocyclopropane-1,1-dicarboxylate

2016 ◽  
Vol 72 (2) ◽  
pp. 253-256
Author(s):  
Nóra Veronika May ◽  
Gyula Tamás Gál ◽  
Zsolt Rapi ◽  
Péter Bakó
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Layered Structure ◽  
Title Compound ◽  
Molecular Conformation ◽  
Two Dimensional ◽  
Free Molecule ◽  
Compound C

In the racemic title compound, C17H15ClN2O4, which has been synthesized and the crystal structure of the solvent-free molecule determined, the angle between the planes of the benzene and cyclopropane rings is 54.29 (10)°. The molecular conformation is stabilized by two weak intramolecular C—H...Ocarboxylinteractions. In the crystal, C—H...O hydrogen bonds form centrosymmetric cyclicR22(10) dimers which are linked into chain substructures extending alongc. Further C—H...Nnitrilehydrogen bonding, including a centrosymmetric cyclicR22(14) association, link the chain substructures, forming a two-dimensional layered structure extending across the approximateabplane. No significant π–π or halogen–halogen intermolecular interactions are present in the crystal.

catena-Poly[cyclohexylammonium [cadmate(II)-tri-μ-bromido]]

2007 ◽  
Vol 63 (3) ◽  
pp. m829-m831 ◽  
Author(s):  
Melanie Rademeyer
Keyword(s):  
Hydrogen Bonds ◽  
Layered Structure ◽  
Title Compound ◽  
Two Dimensional ◽  
Inorganic Layer ◽  
One Dimensional ◽  
Compound C ◽  
Inorganic Layers ◽  
Hydrogen Bonded

The title compound, {(C6H14N)[CdBr3]} n , self-assembles into a layered structure consisting of alternating organic and inorganic layers, with the two Cd atoms on inversion centres. In the inorganic layer, octahedral CdBr6 units share faces to form a one-dimensional perhalometallate chain, which interacts with the ammonium groups of the cations through hydrogen bonds, forming a two-dimensional hydrogen-bonded sheet.

scholarly journals Piperazinium hydrogenarsenate monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m905-m907 ◽  
Author(s):  
Hazel S. Wilkinson ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C

In the title compound, C4H12N2 2+·HAsO4 2−·H2O, the component species interact by way of N—H...O and O—H...O hydrogen bonds, the latter leading to infinite sheets of HAsO4 2− anions and water molecules containing R 6 6(18) loops. The asymmetric unit contains one anion, one water molecule and half each of two centrosymmetric cations.

6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a,10a-tetraazabenzo[g]cyclopenta[cd]azulene-1,4-dione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1754-o1755
Author(s):  
Neng-Fang She ◽  
Sheng-Li Hu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

The title compound, C24H18Br2N4O2·H2O, forms a supramolecular structure via N—H...O, O—H...O and C—H...O hydrogen bonds. In the crystal structure, the water molecule serves as a bifurcated hydrogen-bond acceptor and as a hydrogen-bond donor.

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