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.
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http://dx.doi.org/10.1107/S160053680802285X | DOI Listing |
Acta Crystallogr E Crystallogr Commun
September 2024
Department of Chemistry Grand Valley State University,Allendale MI 49401 USA.
The mol-ecular structure of the tripodal carbamoyl-methyl-phosphine oxide compound diethyl {[(5-[2-(di-eth-oxy-phosphor-yl)acetamido]-3-{2-[2-(di-eth-oxy-phos-phor-yl)acetamido]-eth-yl}pent-yl)carbamo-yl]meth-yl}phospho-nate, CHNOP, features six intra-molecular hydrogen-bonding inter-actions. The phospho-nate groups have key bond lengths ranging from 1.4696 (12) to 1.
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March 2022
Crystal Engineering, Growth and Design Laboratory, Department of Chemistry, University of Crete, Voutes Campus, Crete, GR-71003, Greece.
The crystal structure of the anionic zinc-[amino-(iminio)meth-yl]phospho-nate one-dimensional coordination polymer, Zn-AIMP, is reported; the negative charge is balanced by an oxidanium cation (HO) to give the composition {(HO)[Zn(CHNPO)]} . The building unit of the coordination polymer comprises a divalent Zn cation (site symmetry ..
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July 2022
L. V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of, Sciences of Ukraine, Prospekt Nauki, 31, Kiev 03028, Ukraine.
The components of the title compound, [Ni(CHN)(HO)][Ni(CHN)(CHOP)]·10HO are two centrosymmetric [Ni(CHN)(HO)] dications, a centrosymmetric [Ni(CHN)(CHOP)] tetra-anion and five crystallographically unique water mol-ecules of crystallization. All of the nickel ions are coordinated by the four secondary N atoms of the macrocyclic cyclam ligands, which adopt the most energetically stable -III conformation, and the mutually O atoms of either water mol-ecules in the cations or the phospho-nate groups in the anion in a tetra-gonally distorted NiNO octa-hedral coordination geometry. Strong O-H⋯O hydrogen bonds between the protonated and the non-protonated phospho-nate O atoms of neighboring anions result in the formation of layers oriented parallel to the plane, which are linked into a three-dimensional network by virtue of numerous N-H⋯O and O-H⋯O hydrogen bonds arising from the -NH groups of the macrocycles, phospho-nate O atoms and coordinated and non-coordinated water mol-ecules.
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June 2021
University of Mainz, Institut for Organic Chemistry, Duesbergweg 10-14, 55099 Mainz, Germany.
The title compound, CHIOP, was prepared in three steps from -xylene. Heterodimers between nearly identical mol-ecules are connected three hydrogen bonds from benzylic and ester methyl-ene groups to phospho-nate. The dimers form chains along the -axis direction, stabilized by C-H⋯O bridges.
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October 2019
Department of Chemistry and Biochemistry, St. Mary's University, San Antonio, Texas 78228, USA.
The title phospho-nate-based organic-inorganic hybrid framework, poly[bis(dimethylammonium) [(μ-2,5-dihydroxybenzene-1,4-diphosphonato)zinc(II)]], {(CHN)[Zn(CHOP)]} , was formed unexpectedly when di-methyl-ammonium cations were formed from the deca-rbonylation of the ,-di-methyl-formamide solvent. The framework is built up from ZnO tetra-hedra and bridging di-phospho-nate tetra-anions to generate a three-dimensional network comprising [100] channels occupied by the (CH)NH cations. Within the channels, an array of N-H⋯O hydrogen bonds help to establish the structure.
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