نتایج جستجو برای: mol 9 in dezfooli

تعداد نتایج: 17066092  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه اراک - دانشکده علوم پایه 1392

محاسبات dft در سطح محاسباتی m05- 2x و به وسیله مجموعه پایه aug- cc- pvdz برای آنالیز برهمکنش های موجود در کمپلکس های 1:1 و 1:2 نفتالن و دی متیل اتر به کار گرفته شده است. ساختارهای به دست آمده با روش های اتم ها در مولکول ها ((aim، آنالیز انرژی تجزیه ((eda و انرژی های برهمکنش چند- جسمی، تحلیل شده اند. دو کمینه سطح انرژی پتانسیل کمپلکس های 1:1 را تعیین می کنند. چهار ساختار متفاوت برای کمپلکس های 1...

2007
Jian Li

The asymmetric unit of the title compound, C(9)H(8)N(4)O(3), contains two independent mol-ecules. The dihedral angles formed by the triazole and benzene rings in the two independent mol-ecules are 83.3 (3) and 86.9 (4)°. The mol-ecular packing involves weak C-H⋯N and C-H⋯O inter-actions, and π-π stacking inter-actions [centroid-to-centroid distance 3.745 (1) Å] between the aromatic rings of pai...

2011
Aziz-ur-Rehman Amina Yasin Mehmet Akkurt Nadia Abbas Muhammad Athar Abbasi Islam Ullah Khan

In the title mol-ecule, C(11)H(17)NO(3)S, the S atom has a distorted tetra-hedral geometry [maximum deviation: O-S-O = 119.08 (9)°]. In the crystal, mol-ecules are connected by inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming layers of mol-ecules aligned parallel to (110). The 2-methyl-propan-1-ol group of the mol-ecule is disordered over two positions with an 0.592 (4):0.408 (4) ...

2009
Yan-Feng Xiao Hong-Feng Li Peng-Fei Yan Guang-Ming Li

The asymmetric unit of the title compound, [Fe(4)(C(9)H(8)O(2))(4)(CH(3)OH)(2)], contains one half-mol-ecule located on a twofold rotational axis. In the mol-ecule, the two Fe(II) ions bridged by two coordinating methanol mol-ecules are separated by 3.1286 (7) Å. Two crystallographically independent methanol mol-ecules are situated on a twofold rotational axis; all attached H atoms are rotation...

2010
M. Thenmozhi T. Kavitha B. Palakshi Reddy V. Vijayakumar M. N. Ponnuswamy

The title compound, C(9)H(8)N(4), crystallizes with three independent mol-ecules (A, B and C) per asymmetric unit. The independent mol-ecules differ slightly in their conformations, the dihedral angles between the triazole and phenyl rings in mol-ecules A, B and C being 4.8 (2), 9.7 (2) and 7.2 (2)°, respectively. In the crystal, the independent mol-ecules are linked into a trimer by C-H⋯N hydr...

2011
William M. Motswainyana Martin O. Onani

The title compound, C(10)H(7)NO, crystallizes with two almost planar mol-ecules (A and B) in the asymmetric unit (r.m.s. deviations = 0.018 and 0.020 Å). In the crystal, the A mol-ecules are linked by weak C-H⋯O inter-actions, thereby generating C(9) [001] chains. The B mol-ecules do not exhibit any directional bonding inter-actions.

2009
T. Kavitha M. Thenmozhi V. Dhayalan A. K. Mohanakrishnan M. N. Ponnuswamy

There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(23)H(21)NO(3)S. The indole ring system is approximately perpendicular to the sulfonyl phenyl ring in both mol-ecules [dihedral angles = 85.42 (8) and 88.30 (9)°]. C-H⋯O inter-actions between mol-ecules stabilize the crystal structure.

2010
B. Thimme Gowda Sabine Foro P. A. Suchetan Hartmut Fuess

The asymmetric unit of the title compound, C(9)H(8)Br(3)NO, contains two independent mol-ecules. Intra-molecular N-H⋯Br hydrogen bonds are present in both mol-ecules. In the crystal, mol-ecules are packed into columnar chains by inter-molecular N-H⋯O hydrogen bonds.

2014
Fei-Lin Yang Dan Yang

The asymmetric unit of the title compound, {[Mn3{W(CN)8}2(C16H16N2)3(C3H7NO)3(CH3OH)3]·2H2O} n , consists of three [Mn(N,N-di-methyl-formamide)(methanol)(3,4,7,8-tetra-methyl-1,10-phenanthroline)](2+) cations, two [W(CN)8](3-) anions and two water mol-ecules. Each water mol-ecule is disordered over three sets of sites, with a refined occupancy ratio of 0.310 (9):0.275 (9):0.415 (9) for one mol-...

Journal: :Hypertension 1994
X Li A Kribben E D Wieder P Tsai R A Nemenoff R W Schrier

In vascular smooth muscle cells arginine vasopressin acting through the V1 receptor increases intracellular Ca2+, leading to vasoconstriction. Recent studies have also shown that vasopressin activates mitogen-activated protein kinase (MAP kinase), which may contribute to vasopressin-induced hypertrophy of vascular smooth muscle cells. We examined the ability of an orally active, nonpeptide sele...

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