Displaying publications 101 - 120 of 692 in total

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  1. Yamin BM, Arif MA
    PMID: 21200669 DOI: 10.1107/S1600536807062265
    In the title compound, C(20)H(15)ClN(2)OS, the benzene rings of the biphenyl group are at an angle of 44.23 (12)°. The C(4)N(2)OS central thio-urea fragment makes dihedral angles with the benzene carbonyl and chloro-benzene rings of 55.96 (9) and 64.09 (9)°, respectively. The trans-cis geometry of the thio-urea group is stabilized by the intra-molecular hydrogen bond between the carbonyl O atom and the H atom of the cis-thio-amide. In the crystal structure, mol-ecules are linked by N-H⋯S and N-H⋯O inter-molecular hydrogen bonds to form one-dimensional chains along the c axis. C-H⋯π inter-actions also contribute to the stability of the mol-ecule.
  2. El-Emam AA, Al-Abdullah ES, Al-Tuwaijri HM, Chidan Kumar CS, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 23;69(Pt 12):o1815.
    PMID: 24454244 DOI: 10.1107/S1600536813031516
    In the title compound, C20H26N2S, the N-containing six-membered ring adopts a boat conformation and the dihedral angle between the thio-carbamide group and the benzene ring is 49.67 (9)°. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The N-H group is sterically hindered and there are no significant inter-molecular inter-actions beyond van der Waals contacts.
  3. Aznan Akhmad MA, Abdullah Z, Fairuz ZA, Ng SW, Tiekink ER
    PMID: 21588732 DOI: 10.1107/S1600536810033040
    Two independent mol-ecules comprise the asymmetric unit of the title compound, C(12)H(11)N(3)O(2). These differ in terms of the relative orientations of the benzene rings as seen in the respective dihedral angles formed between the pyridine and benzene rings [17.42 (16) and 34.64 (16)°]. Both mol-ecules are twisted about the amine-tolyl N-C bonds [respective torsion angles = 22.3 (5) and 35.9 (5)°] but only about the amine-pyridine N-C bond in the first independent mol-ecule [respective torsion angles = -11.7 (5) and 0.8 (5)°]. Intra-molecular N-H⋯O hydrogen bonds preclude the amine H atoms from forming significant inter-molecular inter-actions. The crystal packing features inter-molecular C-H⋯O and C-H⋯π and π-π [centroid-centroid distance: pyridine-benzene = 3.6442 (19) Å and pyridine-pyridine = 3.722 (2) Å] contacts.
  4. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW
    PMID: 21579794 DOI: 10.1107/S160053680905586X
    In the title compound, C(13)H(14)N(2), the dihedral angle between the aromatic rings is 48.1 (1)° and the bridging C-N-C bond angle is 127.24 (12)°. In the crystal, intermolecular N-H⋯N hydrogen bonding about a center of inversion generates a hydrogen-bonded dimer.
  5. Sim YL, Ariffin A, Khan MN, Ng SW
    PMID: 21577620 DOI: 10.1107/S1600536809032838
    The phthalimide fused-ring system and the phenyl-ene ring in the title compound, C(15)H(11)NO(3), are inclined at an angle of 60.0 (1)°.
  6. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW, Tiekink ER
    PMID: 21588463 DOI: 10.1107/S1600536810030138
    In the title compound, C(12)H(11)ClN(2), the dihedral angle between the benzene and pyridyl rings is 48.03 (8)°. Twists are also evident in the mol-ecule, in particular about the N(a)-C(b) (a = amine and b = benzene) bond [C-N-C-C = -144.79 (18)°]. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds result in the formation of eight-membered {⋯NCNH}(2) synthons [or R(2) (2)(8) loops].
  7. Yamin BM, Othman NE
    Acta Crystallogr Sect E Struct Rep Online, 2011 Jul 1;67(Pt 7):o1629.
    PMID: 21837035 DOI: 10.1107/S1600536811021684
    The asymmetric unit of the title compound, C(11)H(13)Br(1)N(2)O(1)S(1), consists of two independent mol-ecules, which are linked by N-H⋯O hydrogen bonds, forming a dimer. Both mol-ecules maintain the trans--cis configuration with respect to the position of the butanoyl groups and benzene rings against the thiono group across the C-N bonds. The mol-ecule is stabilized by intra-molecular N-H⋯O hydrogen bonds. Inter-molecular N-H⋯S, C-H⋯S and C-H⋯π inter-actions also occur.
  8. Kobkeatthawin T, Chantrapromma S, Chidan Kumar CS, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 6;69(Pt 12):o1750-1.
    PMID: 24454205 DOI: 10.1107/S1600536813029875
    The title compound, C15H15NO4S, was obtained by the condensation of 4-amino-aceto-phenone and 4-meth-oxy-benzene-sulfonyl chloride. The dihedral angle between the benzene rings is 86.56 (9)° and the mol-ecule has an approximate V-shaped conformation. The C atom of the meth-oxy group is roughly coplanar with its attached ring [deviation = 0.177 (3) Å], as is the methyl C atom of the acetyl group with its ring [deviation = 0.065 (2) Å]. An intra-molecular C-H⋯O inter-action generates an S(6) ring. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into [010] chains. Weak C-H⋯π inter-actions are also observed.
  9. Idris A, Abdullah Z, Ariffin A, Fairuz ZA, Ng SW, Tiekink ER
    PMID: 21588631 DOI: 10.1107/S1600536810031260
    The quinoxaline system in the title hydrate, C(15)H(13)N(3)·H(2)O, is roughly planar, the r.m.s. deviation for the 18 non-H atoms being 0.188 Å; this conformation features a short intra-molecular C-H⋯N(pyrazine) inter-action. In the crystal, the amine H atom forms an N-H⋯O hydrogen bond to the water mol-ecule, which in turn forms two O-H⋯N hydrogen bonds to the pyrazine N atoms of different organic mol-ecules. These inter-actions lead to supra-molecular arrays in the bc plane that are two mol-ecules thick; additional π-π inter-actions stabilize the layers [ring centroid-centroid distance = 3.5923 (7) Å]. The layers stack along the a-axis direction via C-H⋯π contacts.
  10. Badaruddin E, Aiyub Z, Abdullah Z, Ng SW, Tiekink ER
    PMID: 21588767 DOI: 10.1107/S1600536810033301
    Two independent mol-ecules comprise the asymmetric unit in the title compound, C(11)H(11)N(3). These differ in terms of the relative orientations of the aromatic rings: the first is somewhat twisted, while the second is approximately planar [dihedral angles between the pyrimidine and phenyl rings = 39.00 (8) and 4.59 (11)°]. The mol-ecules also form distinct patterns in their hydrogen bonding. The first independent mol-ecule forms centrosymmetric dimers featuring an eight-membered {HNCN}(2) synthon. The second independent mol-ecule forms an N-H⋯N hydrogen bond with the other pyrimidine N atom of the first mol-ecule. Thereby, tetra-meric aggregates are formed. These associate via C-H⋯N and C-H⋯π inter-actions, consolidating the crystal packing.
  11. Othman EA, Soh SK, Yamin BM
    PMID: 21580385 DOI: 10.1107/S1600536810005271
    The title compound, C(10)H(11)ClN(2)OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloro-propionyl groups relative to the thiono group across the C-N bonds. The benzene ring is perpendicular to the propionyl thio-urea fragment with a dihedral angle of 82.62 (10)°. An intra-molecular N-H⋯O inter-action occurs. The crystal structure is stabilized by inter-molecular N-H⋯S hydrogen bonds, which link pairs of mol-ecules, building up R(2) (2)(8) ring motifs, and C-H.. π inter-actions.
  12. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW
    PMID: 21581409 DOI: 10.1107/S1600536808037306
    There are two mol-ecules in the asymmetric unit of the title compound, C(12)H(12)N(2), with dihedral angles between the aromatic rings of 48.35 (12) and 51.02 (12)°. In the crystal structure, both mol-ecules form inversion dimers, linked by pairs of N-H⋯N hydrogen bonds.
  13. Sim YL, Ariffin A, Khan MN, Ng SW
    PMID: 21577619 DOI: 10.1107/S1600536809032826
    The phthalimide fused-ring system and the phenyl-ene ring in the title compound, C(15)H(11)NO(3), are inclined at an angle of 54.2 (1)°.
  14. Sim YL, Ariffin A, Ng SW
    PMID: 21202577 DOI: 10.1107/S1600536808013548
    The title mol-ecule, C(11)H(11)NO(3), lies on a crystallographic mirror plane which bis-ects the plane of the phthalimide unit and contains the C and O atoms of the 2-methoxy-ethyl group.
  15. Mansor S, Zakaria N, Ariffin A, Ng SW
    PMID: 21201752 DOI: 10.1107/S1600536808025920
    Mol-ecules of the title compound, C(14)H(8)N(2)O(5), are linked by a hydr-oxy-amide O-H⋯O hydrogen bond into a linear chain. The hydr-oxy group is disordered over two positions of the benzene ring in an approximate 0.57:0.43 ratio.
  16. Fan YM, Zakaria N, Ariffin A, Ng SW
    PMID: 21201688 DOI: 10.1107/S1600536808020448
    In the title compound, C(16)H(13)NO(2), the phthalimide and benzene ring systems form a dihedral angle of 77.2 (1)°.
  17. Yamin BM, Soh SK, Yusoff SF
    PMID: 24526981 DOI: 10.1107/S1600536813032662
    The title compound, C10H9Cl2N3O3S, adopts a trans-cis conformation with respect to the position of chloropropionyl and chloronitrobenzene groups respectively, against the thiono about their C-N bonds. The conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal, there is a short Cl⋯Cl contact with a distance of 3.386 (13) Å.
  18. Saleem HF, Yamin BM
    PMID: 21580628 DOI: 10.1107/S1600536810008305
    In the title compound, C(7)H(7)BrN(2)S, the thio-urea unit is almost perpendicular to the bromo-benzene fragment, making a dihedral angle of 80.82 (16)°. The crystal structure is stabilized by N-H⋯S inter-molecular hydrogen bonds, which form linear chains along the ab diagonal.
  19. Al-Mohammed NN, Alias Y, Abdullah Z, Khaledi H
    Acta Crystallogr Sect E Struct Rep Online, 2012 Jul 1;68(Pt 7):o1983.
    PMID: 22807816 DOI: 10.1107/S1600536812024324
    The asymmetric unit of the title compound, C(20)H(28)N(2)O(6)S(2), contains one half-mol-ecule, related to the other half by a twofold rotation axis. The two aromatic rings of the mol-ecule make a dihedral angle of 50.91 (7)°. The O-CH(2)-CH(2)-O and N-CH(2)-CH(2)-O fragments both adopt gauche conformations, with torsion angles of 76.0 (4) and 70.4 (3)°, respectively. In the crystal, adjacent mol-ecules are linked through N-H⋯O hydrogen bonds into chains along the a-axis direction. The chains are further connected via C-H⋯O inter-actions into a two-dimensional supra-molecular network in the ac plane.
  20. Fun HK, Kia R
    PMID: 21201706 DOI: 10.1107/S1600536808024926
    The mol-ecule of the title Schiff base compound, C(18)H(12)Cl(2)F(6)N(2), adopts an E configuration with respect to the azomethine C=N bond. Intra-molecular C-H⋯F (× 2) and C-H⋯Cl (× 2) hydrogen bonds generate S(5) ring motifs. The imino group is coplanar with the aromatic ring. Within the mol-ecule, the planar units are parallel, but extend in opposite directions from the methyl-ene bridge, as indicated by the dihedral angle between the two benzene rings of 3.74 (6)°. The inter-esting features of the crystal structure are weak inter-molecular Cl⋯N and F⋯F inter-actions, with distances of 2.9192 (11) and 3.2714 (10) Å, respectively, which are shorter than the sum of the van der Waals radii of the relevent atoms. These inter-actions link neighbouring mol-ecules into dimers which are stacked down the b axis.
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