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Showing results for ibrahim atom
Search for Ibrahim Atoum instead (1 results)
N-(4-Meth-oxy-phen-yl)benzene-sulfonamide.
Ibrahim S, Tahir MN, Iqbal N, Shahwar D, Raza MA. Ibrahim S, et al. Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 8;67(Pt 2):o298. doi: 10.1107/S1600536811000365. Acta Crystallogr Sect E Struct Rep Online. 2011. PMID: 21522988 Free PMC article.
The meth-oxy-benzene group is roughly planar (r.m.s. deviation = 0.0144 A) and the amide N atom is displaced from this plane by 0.090 (6) A. The dihedral angles between the meth-oxy-benzene group and the major and minor occupancy components of the disordered benzene ring a …
The meth-oxy-benzene group is roughly planar (r.m.s. deviation = 0.0144 A) and the amide N atom is displaced from this plane by 0.090 …
Structural evidence for intermediates during O2 formation in photosystem II.
Bhowmick A, Hussein R, Bogacz I, Simon PS, Ibrahim M, Chatterjee R, Doyle MD, Cheah MH, Fransson T, Chernev P, Kim IS, Makita H, Dasgupta M, Kaminsky CJ, Zhang M, Gätcke J, Haupt S, Nangca II, Keable SM, Aydin AO, Tono K, Owada S, Gee LB, Fuller FD, Batyuk A, Alonso-Mori R, Holton JM, Paley DW, Moriarty NW, Mamedov F, Adams PD, Brewster AS, Dobbek H, Sauter NK, Bergmann U, Zouni A, Messinger J, Kern J, Yano J, Yachandra VK. Bhowmick A, et al. Nature. 2023 May;617(7961):629-636. doi: 10.1038/s41586-023-06038-z. Epub 2023 May 3. Nature. 2023. PMID: 37138085 Free PMC article.
Our data reveal a complex sequence of events, which occur over micro- to milliseconds, comprising changes at the Mn(4)CaO(5) cluster, its ligands and water pathways as well as controlled proton release through the hydrogen-bonding network of the Cl1 channel. Importantly, the extr …
Our data reveal a complex sequence of events, which occur over micro- to milliseconds, comprising changes at the Mn(4)CaO(5) cluster, its li …
3-Methyl-amino-3-phenyl-propan-1-ol.
Frey W, Ibrahim MM, Ali BF, Jäger V. Frey W, et al. Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2857. doi: 10.1107/S160053681203694X. Epub 2012 Sep 5. Acta Crystallogr Sect E Struct Rep Online. 2012. PMID: 23125659 Free PMC article.
The title compound, C(10)H(15)NO, is an amino alcohol with the hy-droxy group residing on the terminal C atom. Apart from the hy-droxy group and the phenyl ring, all non-H atoms are almost coplanar. ...
The title compound, C(10)H(15)NO, is an amino alcohol with the hy-droxy group residing on the terminal C atom. Apart from the hy-drox …
Bis{2-[(E)-(4-fluoro-benz-yl)imino-meth-yl]-6-meth-oxy-phenolato}palladium(II).
Bahron H, Mohd Tajuddin A, Ibrahim WN, Hemamalini M, Fun HK. Bahron H, et al. Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m759-60. doi: 10.1107/S1600536811017739. Epub 2011 May 20. Acta Crystallogr Sect E Struct Rep Online. 2011. PMID: 21754647 Free PMC article.
In the title compound, [Pd(C(15)H(13)FNO(2))(2)], the Pd(II) atom is tetra-coordinated by two N atoms and two O atoms from the two 2-[(4-fluoro-benz-yl)imino-meth-yl]-6-meth-oxy-phen-oxy ligands, forming a square-planar geometry. The two N atoms and the two O atoms around …
In the title compound, [Pd(C(15)H(13)FNO(2))(2)], the Pd(II) atom is tetra-coordinated by two N atoms and two O atoms from the two 2- …
Bis{2-[(E)-(4-fluoro-benz-yl)imino-meth-yl]-6-meth-oxy-phenolato-κN,O}nickel(II).
Bahron H, Tajuddin AM, Ibrahim WN, Hemamalini M, Fun HK. Bahron H, et al. Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1010-1. doi: 10.1107/S1600536811025189. Epub 2011 Jul 2. Acta Crystallogr Sect E Struct Rep Online. 2011. PMID: 22090809 Free PMC article.
The two N atoms and two O atoms around the Ni(II) atom are trans to each other, as the Ni(II) atom lies on an inversion centre. In the fluoro-phenyl group, five C atoms and an F atom are disordered over two sets of positions of equal occupancy. ...
The two N atoms and two O atoms around the Ni(II) atom are trans to each other, as the Ni(II) atom lies on an inversion centre …
Octa-methyldi-μ(3)-oxido-bis-(μ(2)-thio-phene-3-acetato-κO:O')(thio-phene-3-acetato-κO)tetra-tin(IV).
Danish M, Tahir MN, Ahmad N, Raza AR, Ibrahim M. Danish M, et al. Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):m609-10. doi: 10.1107/S1600536809015475. Acta Crystallogr Sect E Struct Rep Online. 2009. PMID: 21583826 Free PMC article.
In the centrosymmetric title compound, [Sn(4)(CH(3))(8)(C(6)H(5)O(2)S)(4)O(2)], the central four-membered planar ring (Sn(2)O(2)) makes dihedral angles of 66.28 (12) and 77.43 (11) with the heterocyclic rings of the bridging and monodentate ligands, respectively. One Sn(IV) at …
In the centrosymmetric title compound, [Sn(4)(CH(3))(8)(C(6)H(5)O(2)S)(4)O(2)], the central four-membered planar ring (Sn(2)O(2)) makes dihe …
Molecular mechanical perspective on halogen bonding.
Ibrahim MA. Ibrahim MA. J Mol Model. 2012 Oct;18(10):4625-38. doi: 10.1007/s00894-012-1454-8. Epub 2012 May 30. J Mol Model. 2012. PMID: 22643975
The nature and strength of halogen bonding in halo molecule-Lewis base complexes were studied in terms of molecular mechanics using our recently developed positive extra-point (PEP) approach, in which the sigma-hole on the halogen atom is represented by an extra point of p …
The nature and strength of halogen bonding in halo molecule-Lewis base complexes were studied in terms of molecular mechanics using our rece …
Velocity-Gauge Real-Time Time-Dependent Density Functional Tight-Binding for Large-Scale Condensed Matter Systems.
Xu Q, Del Ben M, Sait Okyay M, Choi M, Ibrahim KZ, Wong BM. Xu Q, et al. J Chem Theory Comput. 2023 Nov 28;19(22):7989-7997. doi: 10.1021/acs.jctc.3c00689. Epub 2023 Nov 13. J Chem Theory Comput. 2023. PMID: 37955975 Free PMC article.
As a representative example, we calculate laser-induced electron dynamics in a 512-atom amorphous silicon supercell to highlight the large periodic systems that can be examined with our implementation. ...
As a representative example, we calculate laser-induced electron dynamics in a 512-atom amorphous silicon supercell to highlight the …
Effect of alkali metals on physical and spectroscopic properties of cellulose.
Refaat A, Elhaes H, Ibrahim MA. Refaat A, et al. Sci Rep. 2023 Dec 8;13(1):21649. doi: 10.1038/s41598-023-48850-7. Sci Rep. 2023. PMID: 38066105 Free PMC article.
Cellulose demonstrated a TDM of 9.106 Debye and deltaE of 7.647 eV. The hydrogen atom of the hydroxyl group of the CH(2)OH group of each cellulose unit was replaced by an alkali metal atom (X) such that the 3-unit cellulose once had 1X atom, then 2X, then 3X …
Cellulose demonstrated a TDM of 9.106 Debye and deltaE of 7.647 eV. The hydrogen atom of the hydroxyl group of the CH(2)OH group of e …
Recyclable cooperative catalyst for accelerated hydroaminomethylation of hindered amines in a continuous segmented flow reactor.
Ibrahim MYS, Abolhasani M. Ibrahim MYS, et al. Nat Commun. 2022 May 4;13(1):2441. doi: 10.1038/s41467-022-30175-0. Nat Commun. 2022. PMID: 35508490 Free PMC article.
Synthesis of hindered amines using the atom-efficient hydroaminomethylation (HAM) route remains a challenge. ...
Synthesis of hindered amines using the atom-efficient hydroaminomethylation (HAM) route remains a challenge. ...
83 results