Издательство СО РАН

Издательство СО РАН

Адрес Издательства СО РАН: Россия, 630090, а/я 187
Новосибирск, Морской пр., 2

soran2.gif

Baner_Nauka_Sibiri.jpg


Яндекс.Метрика

Array
(
    [SESS_AUTH] => Array
        (
            [POLICY] => Array
                (
                    [SESSION_TIMEOUT] => 24
                    [SESSION_IP_MASK] => 0.0.0.0
                    [MAX_STORE_NUM] => 10
                    [STORE_IP_MASK] => 0.0.0.0
                    [STORE_TIMEOUT] => 525600
                    [CHECKWORD_TIMEOUT] => 525600
                    [PASSWORD_LENGTH] => 6
                    [PASSWORD_UPPERCASE] => N
                    [PASSWORD_LOWERCASE] => N
                    [PASSWORD_DIGITS] => N
                    [PASSWORD_PUNCTUATION] => N
                    [LOGIN_ATTEMPTS] => 0
                    [PASSWORD_REQUIREMENTS] => Пароль должен быть не менее 6 символов длиной.
                )

        )

    [SESS_IP] => 18.216.233.58
    [SESS_TIME] => 1713534029
    [BX_SESSION_SIGN] => 9b3eeb12a31176bf2731c6c072271eb6
    [fixed_session_id] => fa2a0f5ee9f8a03ad5abc18cd777dcc7
    [UNIQUE_KEY] => 1a48b7f3f6623a83d8b96ff98c50311b
    [BX_LOGIN_NEED_CAPTCHA_LOGIN] => Array
        (
            [LOGIN] => 
            [POLICY_ATTEMPTS] => 0
        )

)

Поиск по журналу

Журнал структурной химии

2017 год, номер 1

CRYSTAL STRUCTURE AND THEORETICAL CALCULATIONS OF 1-(4-TRIFLUOROMETHYL-2,3,5,6-TETRAFLUOROPHENYL)-3-BENZYLIMIDAZOLIUM BROMIDE

Graham C. Saunders, Hayden P. Thomas
University of Waikato, Hamilton, New Zealand
g.saunders@waikato.ac.nz
Ключевые слова: imidazolium, anion-ПЂinteraction, X-ray structure
Страницы: 217-221

Аннотация

The salt 1-(4-trifluoromethyl-2,3,5,6-tetrafluorophenyl)-3-benzylimidazolium bromide [(CF3C6F4)NC3H3N(CH2Ph)]+×Br- is crystallized from methanol in the space group P-421c of the tetragonal crystal system with unit cell parameters a = b = 21.6531(3) Å, c = 8.1968(2) Å, V = 3843.13(13) Å3, Z = 8, dcalc = 1.5732 g/cm-3. The structure possesses square channels with a width of ca. 5.2 Å, which accounts for 14 % of the volume, and contains one methanol molecule per ion pair. The cation interacts with three bromide ions through an anion - π interaction and two C-H⋯Br- interactions. These interactions are investigated by DFT calculations.

DOI: 10.15372/JSC20170131