ABSTRACT: The title compound, C(5)H(15)NO(6)P(2), was obtained by the reaction of penta-nenitrile with PCl(3) followed by the dropwise addition of water. The asymmetric unit contains one mol-ecule, which exists as a zwitterion with a positive charge on the -NH(3) group and a negative charge on one of the phospho-nic O atoms. The crystal structure displays N-H?O and O-H?O hydrogen bonding, which creates a three-dimensional network.
Project description:The asymmetric unit of the second polymorph of the title compound, C(2)H(9)NO(6)P(2), contains one mol-ecule existing as a zwitterion. The N atom of the ammonio group is protonated and one of the phospho-nic acid groups is deprotonated. Bond lengths and angles are similar in both polymorphs. Besides the differences in cell parameters, the most significant structural difference between this structure and that of the first polymorph [Dudko, Bon, Kozachkova, Tsarik & Pekhno (2008 ?), Ukr. Khim. Zh.74, 104-106] is the presence of strong symmetric hydrogen bonds between neighbouring phospho-nate groups. H atoms involved in these hydrogen bonds are located at inversion centres and O?O distances are observed in the range 2.458?(5)-2.523?(5)?Å. These bonds and additional O-H?O and N-H?O hydrogen bonds inter-link the mol-ecules, giving a three-dimensional supromolecular network.
Project description:The title compound, H(3)O(+)·C(4)H(10)NO(6)P(2) (-)·H(2)O, was obtained from the reaction of cyclo-propane-carbonitrile with PCl(3), followed by dropwise addition of water. The asymmetric unit comprises an oxonium cation, a zwitterionic monoanion containing a positively charged ammonium group and two negatively charged phospho-nic acid residues and a water mol-ecule of crystallization. The hydroxonium cation and water mol-ecule are hydrogen bonded to the anion and further N-H?O and O-H?O bonds create a three-dimensional network.
Project description:The title compound, [Zn(C(2)H(8)NO(6)P(2))(2)(H(2)O)(4)]·4H(2)O, was synthesized by the reaction of ZnCl(2) with 1-amino-ethane-1,1-diyldiphospho-nic acid in aqueous solution. The asymmetric unit contains one-half of the complex and two water mol-ecules of solvation. The Zn atom occupies a special position on an inversion centre. This results in a slightly distorted octa-hedral coordination environment, which consists of the O atoms from two phospho-nic acids and four water mol-ecules. The crystal structure displays N-H?O and O-H?O hydrogen bonding, which creates a three-dimensional network.
Project description:In the title compound, [Fe(C(5)H(5))(C(5)H(6)O(3)P)], the phosphate group is bonded to the ferrocene unit with a P-C bond length of 1.749?(3)?Å. In the crystal, six ferrocenyl-phospho-nic acid mol-ecules are connected by 12 strong inter-molecular O-H?O hydrogen bonds, leading to the formation of a highly distorted octa-hedral cage. The volume of the octa-hedral cage is about 270?Å(3).
Project description:The title compound, C(13)H(20)NO(3)P, exists as a zwitterion: the phospho-nic acid group has transferred its H atom to the amino group. The piperidine ring adopts a chair conformation. Mol-ecules are linked via hydrogen bonding to form a linear chain.
Project description:The title compound, C(6)H(8)NO(3)P, is isostructural with p-arsanilic acid. It exists as the zwitterion H(3)N(+)C(6)H(4)PO(3)H(-). In the crystal, mol-ecules are linked by O-H?O and N-H?O hydrogen-bond bridges, giving a three-dimensional network structure. The strongest hydrogen bonds are formed between adjacent PO(3)H groups with O?O distances of 2.577?(2)?Å.
Project description:The title compound, NH(4) (+)·C(5)H(14)NO(6)P(2) (-), was obtained from 1-ammonio-1-phosphono-pentane-1-phospho-nic acid and ammonium hydroxide in aqueous solution. The asymmetric unit of title compound contains one molecule, which consists of an ammonium cation and an aminodiphosphonic anion with the H atoms transferred from the phosphonic acid group to the amino group. The crystal structure shows a three-dimensional network of O-H?O and N-H?O hydrogen bonds which stabilize the structure.
Project description:The title compound, CH(5)N(2)O(3)P, exists as a zwitterion. The N atom of the imino group is protonated and the phospho-nic acid group is deprotonated. The mol-ecular geometry about the central C atom of this zwitterionic species was found to be strictly planar with the sum of the three angles about C being precisely 360°. In the crystal, the mol-ecules are inter-linked by O-H?O and N-H?O hydrogen-bonding inter-actions, forming a three-dimensional supra-molecular network structure.
Project description:The title compound, C(8)H(12)O(7)P(2)·CH(4)O, is a monoesterified bis-phospho-nate (or 1-hydroxy-methyl-ene-1,1-bis-phospho-nic acid). These synthetic compounds are widely used in medicine to inhibit bone resorption in diseases like osteoporosis, and are characterized by a stable P-C-P group and are thus analogs of inorganic pyrophosphate. By masking one or several ionizable groups, introduced as phosphono-ester, it was anti-cipated the formation of prodrugs with higher lipophilicity that could facilitate the drug delivery and metabolization. Mol-ecules are paired by inter-molecular hydrogen bonds involving the phospho-nic groups. In addition, dimers are connected side-by-side, building infinite ribbons along the a-axis direction; these ribbons are cross-linked perpendicularly along the b-axis direction via a methanol solvent mol-ecule (disordered over two sites with occupancy factors ca 0.6 and 0.4), forming an extended inter-molecular hydrogen-bonded network. The H atoms of the methyl group in the main molecule are disordered equally over two positions.
Project description:In the title compound, H(3)O(+)·C(8)H(7)O(8)P(2) (-), the anions form inversion dimmers by way of pairs of O-H?O hydrogen bonds involving the phospho-nic functions and via the hydro-nium cation. Further O-H?O links involving the hydronium cation play a prominant part in the cohesion of the crystal structure by building bridges between bis-phospho-nate pairs, forming infinite ribbons along the b-axis direction and by cross-linking these ribbons perpendicularly along the a-axis direction, forming an infinite three-dimensional hydrogen-bond network. The benzene ring and the C=O atoms of the furan ring are disordered over two sets of positions of equal occupancy.