scholarly journals Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)]

2021 ◽  
Vol 77 (8) ◽  
pp. 795-798
Author(s):  
Duncan Micallef ◽  
Ulrich Baisch
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Bidentate Ligand ◽  
Side Product ◽  
Monoclinic Space Group ◽  
Nitrate Anion ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Work Up

The title compound, di-μ-nitrato-κ3 O,O′:O;O:O,O′-bis(μ-octaethyl pyrophosphoramide-κ2 O:O′)bis[aquabis(nitrato-κ2 O,O′)calcium(II)], [Ca2(NO3)4(C16H40N4O3P2)2(H2O)2] was obtained as a side product during the work up of the synthesis of octaethyl pyrophosphoramide and represents the first structurally characterized complex of this ligand. The compound crystallizes in the monoclinic space group P21/n and the asymmetric unit contains one pyrophosphoramide molecule and one Ca2+ ion coordinated to two nitrate ions and one water molecule. The complex exists as a dimer with a centre of inversion located between two eight-coordinate calcium(II) centres, which are bridged by two nitrate ions and two octaethyl pyrophosphoramide ligands. Each Ca2+ cation is also coordinated to a further nitrate anion, acting as a bidentate ligand, and a water molecule. The complexes stack parallel to the a axis and are held in place by a network of intermolecular O—H...O hydrogen bonds also running parallel to a.

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.

scholarly journals 2,2′-Bipyridin-1-ium hemioxalate oxalic acid monohydrate

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Anna Jezuita
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Oxalic Acids

The asymmetric unit of the title compound, C10H9N2 +·0.5C2O4 2−·C2H2O4·H2O, consists of a 2,2′-bipyridinium cation, half an oxalate dianion, one oxalic acid and one water molecule. One N atom in 2,2′-bipyridine is unprotonated, while the second is protonated and forms an N—H...O hydrogen bond. In the crystal, the anions are connected with surrounding acid molecules and water molecules by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the anions and oxalic acids; their O atoms participate as donors and acceptors, respectively, in O—H...O hydrogen bonds, which form sheets arranged parallel to the ac plane.

Combining CDIF and PDF information in problem solving: Crystal structure of a corrosion deposit, hexaaquairon(II) trifluoromethanesulfonate

1999 ◽  
Vol 14 (3) ◽  
pp. 166-170
Author(s):  
J. A. Kaduk
Keyword(s):  
Crystal Structure ◽  
Problem Solving ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Powder Diffraction ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Major Phase ◽  
Corrosion Deposit

The title compound was identified as the major phase in a corrosion deposit by indexing its powder pattern, and locating an isostructural vanadium(II) compound in the NIST Crystal Data Identification File. The identity of the compound was confirmed by a Rietveld refinement. Hexaaquairon(II) trifluoromethanesulfonate crystallizes in the monoclinic space group C2/m, with a=18.6415(14), b=6.9291(5), c=6.5938(5) Å, β=104.742(6)°, V=823.68(10) Å3, and Z=2. The structure consists of alternating layers of octahedral hexaaquairon(II) cations and triflate anions. The cations and anions are linked into layers parallel to the bc plane by hydrogen bonds. Each water molecule donates two protons to sulfonate oxygens, and each sulfonate oxygen acts as an acceptor of two protons. A reference powder diffraction pattern is reported.

N′-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1119-o1120 ◽  
Author(s):  
Xue-Fang Shi ◽  
Lei He ◽  
Guo-Zhun Ma ◽  
Cui-Cui Yuan
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the title compound, C14H13N3O3·H2O, contains one molecule of N′-(4-hydroxy-3-methoxybenzylidene)isonicotinohydrazide and one solvent water molecule. The crystal packing is stabilized by O—H...N and O—H...O hydrogen bonds.

scholarly journals Diaquabis[2,6-bis(4H-1,2,4-triazol-4-yl)pyridine-κN2]bis(selenocyanato-κN)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1097-m1098
Author(s):  
Yuan-Yuan Liu ◽  
Pan Yang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Pyridine Ligand ◽  
Complex Molecules ◽  
Pyridine Ligands

In the title compound, [Co(NCSe)2(C9H7N7)2(H2O)2], the Co2+cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligands and two water molecules within a slightly distorted N4O2octahedron. The asymmetric unit consists of one Co2+cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to thebcplane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

3,9-Bis(2-hydroxy-2-propyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o2620-o2621 ◽  
Author(s):  
Yu-Hua Zhang ◽  
Xiao-Hui Wang ◽  
Shan Liu ◽  
Cheng Yao
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C

In the crystal structu of the title compound, C11H22O8P2·0.5H2O, the asymmetric unit contains two spiro[5.5]undecane molecules and one water molecule. The structure is stabilized by intra- and intermolecular C—H...O and O—H...O hydrogen bonds.

scholarly journals (1S,2R,8R)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-10-en-9-one

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Mustapha Ait Elhad ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Space Group ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H23Cl2NO, crystallizes in the monoclinic space groupP21with two independent molecules (AandB) in the asymmetric unit. They have essentially the same conformation. Each molecule is built up from fused six- and seven-membered rings and an additional three-membered ring. The six-membered ring has an envelope conformation, with the C atom belonging to the three-membered ring forming the flap, while the seven-membered ring displays a boat conformation. In the crystal, molecules are linked into chains propagating along thea-axis direction by N—H...O hydrogen bonds.

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals 2-Trifluoromethyl-1H-benzimidazol-3-ium tetrafluoroborate–2-trifluoromethyl-1H-benzimidazole–water (1/1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o1076-o1076 ◽  
Author(s):  
Ming-Liang Liu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Trifluoromethyl Groups

The asymmetric unit of the title compound, C8H6F3N2+·BF4−·C8H5F3N2·H2O, consists of two 2-trifluoromethylbenzimidazole molecules, each of which is protonated on a 50% basis, one tetrafluoroborate anion and a water molecule. The two 2-trifluoromethylbenzimidazole molecules thus exist as half-neutral half-cation entities. They are linked by N—H...N hydrogen bonds involving the half-occupancy hydrogens in each molecule. The F atoms of one of the trifluoromethyl groups are disordered over two sets of sites [in a 0.518 (14):0.482 (14) ratio], as are the F atoms of the tetrafluoroborate anion [0.507 (14):0.493 (14) ratio]. The water molecule is linked to one of the 2-trifluoromethylbenzimidazole moleculesviaan N—H...O hydrogen bond.

4-Hydroxy-3-methoxybenzaldehyde nicotinoylhydrazone monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1295-o1296 ◽  
Author(s):  
Xue-Fang Shi ◽  
Chang-Ying Liu ◽  
Bo Liu ◽  
Cui-Cui Yuan
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C14H13N3O3·H2O, consists of one 4-hydroxy-3-methoxybenzaldehyde nicotinoylhydrazone (NAHZ) molecule and one water molecule linked through hydrogen bonds.

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